NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
492218 |
2k7x   |
cing | 1-original | 7 | AMBER | distance | NOE | ambi |
#
# 54 GLU HG- 15 THR HN 5.50 (# 0:10 Unique 3.28, 4.35 A)
&rst
ixpk= 0, nxpk= 10, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1= 855, 856,
&end
#
# 15 THR HB 15 THR HN 3.50 (# 1:10 Unique 2.64, 2.67 A)
&rst
ixpk= 1, nxpk= 10, iat= 202, 198, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 14 ILE HA 15 THR HN 2.80 (# 2:10 Unique 2.20, 2.21 A)
&rst
ixpk= 2, nxpk= 10, iat= 181, 198, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:4 15 THR HN 3.50 (# 4:10 Single Ambig)
&rst
ixpk= 4, nxpk= 10, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 852, 853, 852, 853,
&end
#
# 0 AMB 10-2:5 15 THR HN 4.50 (# 5:10 Single Ambig)
&rst
ixpk= 5, nxpk= 10, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 204, 205, 206, 216, 217,
&end
#
# 0 AMB 10-2:6 15 THR HN 3.50 (# 6:10 Single Ambig)
&rst
ixpk= 6, nxpk= 10, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 185, 186, 187, 251, 252, 253, 255, 256, 257,
&end
#
# 96 LEU HB- 21 TRP HE1 4.50 (# 7:10 Unique 2.12, 2.99 A)
&rst
ixpk= 7, nxpk= 10, iat= -1, 300, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1476,1477,
&end
#
# 96 LEU HB+ 21 TRP HE1 4.50 (# 8:10 Unique 2.12, 2.99 A)
&rst
ixpk= 8, nxpk= 10, iat= -1, 300, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1476,1477,
&end
#
# 96 LEU MDY 21 TRP HE1 5.50 (# 9:10 Unique 2.55, 4.56 A)
&rst
ixpk= 9, nxpk= 10, iat= -1, 300, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 96 LEU MDX 21 TRP HE1 3.50 (# 10:10 Unique 2.55, 4.56 A)
&rst
ixpk= 10, nxpk= 10, iat= -1, 300, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 95 ILE HA 32 TRP HE1 4.50 (# 11:10 Unique 2.59, 2.94 A)
&rst
ixpk= 11, nxpk= 10, iat=1455, 476, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 95 ILE HG1- 32 TRP HE1 3.50 (# 12:10 Unique 2.11, 2.71 A)
&rst
ixpk= 12, nxpk= 10, iat= -1, 476, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1463,1464,
&end
#
# 95 ILE HG1+ 32 TRP HE1 3.50 (# 13:10 Unique 2.11, 2.71 A)
&rst
ixpk= 13, nxpk= 10, iat= -1, 476, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1463,1464,
&end
#
# 95 ILE QD1 32 TRP HE1 4.50 (# 14:10 Unique 3.82, 4.72 A)
&rst
ixpk= 14, nxpk= 10, iat= -1, 476, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1466,1467,1468,
&end
#
# 95 ILE QG2 32 TRP HE1 5.50 (# 15:10 Unique 3.91, 5.16 A)
&rst
ixpk= 15, nxpk= 10, iat= -1, 476, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1459,1460,1461,
&end
#
# 93 ARG HB+ 32 TRP HE1 5.50 (# 16:10 Unique 2.62, 4.32 A)
&rst
ixpk= 16, nxpk= 10, iat= -1, 476, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1419,1420,
&end
#
# 95 ILE HA 96 LEU HN 2.80 (# 17:10 Unique 2.14, 2.20 A)
&rst
ixpk= 17, nxpk= 10, iat=1455,1472, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 96 LEU HA 96 LEU HN 2.80 (# 18:10 Unique 2.20, 2.24 A)
&rst
ixpk= 18, nxpk= 10, iat=1474,1472, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 96 LEU HB- 96 LEU HN 4.50 (# 19:10 Unique 2.88, 3.62 A)
&rst
ixpk= 19, nxpk= 10, iat= -1,1472, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1476,1477,
&end
#
# 0 AMB 10-2:20 96 LEU HN 4.50 (# 20:10 Single Ambig)
&rst
ixpk= 20, nxpk= 10, iat= -1,1472, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1476,1477,1457,
&end
#
# 0 AMB 10-2:21 96 LEU HN 3.50 (# 21:10 Single Ambig)
&rst
ixpk= 21, nxpk= 10, iat= -1,1472, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1479, 368, 369, 370,
&end
#
# 0 AMB 10-2:22 96 LEU HN 3.50 (# 22:10 Single Ambig)
&rst
ixpk= 22, nxpk= 10, iat= -1,1472, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1481,1482,1483,1485,1486,1487,1463,1464,
&end
#
# 95 ILE QG2 96 LEU HN 3.50 (# 23:10 Unique 2.76, 3.51 A)
&rst
ixpk= 23, nxpk= 10, iat= -1,1472, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1459,1460,1461,
&end
#
# 13 THR HA 14 ILE HN 2.80 (# 24:10 Unique 2.20, 2.26 A)
&rst
ixpk= 24, nxpk= 10, iat= 167, 179, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 14 ILE HG1+ 14 ILE HN 3.50 (# 25:10 Unique 2.24, 2.94 A)
&rst
ixpk= 25, nxpk= 10, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 189, 190,
&end
#
# 14 ILE HG1- 14 ILE HN 3.50 (# 26:10 Unique 2.24, 2.94 A)
&rst
ixpk= 26, nxpk= 10, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 189, 190,
&end
#
# 0 AMB 10-2:27 14 ILE HN 3.50 (# 27:10 Single Ambig)
&rst
ixpk= 27, nxpk= 10, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 251, 252, 253, 255, 256, 257, 185, 186, 187,
&end
#
# 103 ASP HB- 14 ILE HN 4.50 (# 28:10 Unique 2.94, 3.71 A)
&rst
ixpk= 28, nxpk= 10, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1580,1581,
&end
#
# 14 ILE HB 14 ILE HN 3.50 (# 29:10 Unique 2.44, 2.47 A)
&rst
ixpk= 29, nxpk= 10, iat= 183, 179, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 13 THR MG2 14 ILE HN 3.50 (# 30:10 Unique 2.56, 3.28 A)
&rst
ixpk= 30, nxpk= 10, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 171, 172, 173,
&end
#
# 14 ILE HA 14 ILE HN 3.50 (# 31:10 Unique 2.89, 2.93 A)
&rst
ixpk= 31, nxpk= 10, iat= 181, 179, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 119 PHE HA 120 GLN HN 2.80 (# 32:10 Unique 2.19, 2.54 A)
&rst
ixpk= 32, nxpk= 10, iat=1817,1835, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 119 PHE HB- 120 GLN HN 5.50 (# 34:10 Unique 1.98, 3.60 A)
&rst
ixpk= 34, nxpk= 10, iat= -1,1835, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1819,1820,
&end
#
# 119 PHE HB+ 120 GLN HN 5.50 (# 35:10 Unique 1.98, 3.60 A)
&rst
ixpk= 35, nxpk= 10, iat= -1,1835, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1819,1820,
&end
#
# 0 AMB 10-2:38 5 ALA HN 3.50 (# 38:10 Single Ambig)
&rst
ixpk= 38, nxpk= 10, iat= -1, 71, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 59, 73,
&end
#
# 5 ALA MB 5 ALA HN 4.50 (# 39:10 Unique 2.42, 3.11 A)
&rst
ixpk= 39, nxpk= 10, iat= -1, 71, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 75, 76, 77,
&end
#
# 0 AMB 10-2:40 30 ASP HN 5.50 (# 40:10 Single Ambig)
&rst
ixpk= 40, nxpk= 10, iat= -1, 430, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 366, 444,
&end
#
# 30 ASP HA 30 ASP HN 3.50 (# 41:10 Unique 2.97, 2.98 A)
&rst
ixpk= 41, nxpk= 10, iat= 432, 430, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 GLY HA- 30 ASP HN 3.50 (# 42:10 Unique 2.94, 3.29 A)
&rst
ixpk= 42, nxpk= 10, iat= -1, 430, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 425, 426,
&end
#
# 29 GLY HA+ 30 ASP HN 3.50 (# 43:10 Unique 2.94, 3.29 A)
&rst
ixpk= 43, nxpk= 10, iat= -1, 430, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 425, 426,
&end
#
# 26 VAL HA 30 ASP HN 3.50 (# 44:10 Unique 2.78, 3.14 A)
&rst
ixpk= 44, nxpk= 10, iat= 376, 430, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 ASN HB- 30 ASP HN 5.50 (# 45:10 Unique 3.82, 4.37 A)
&rst
ixpk= 45, nxpk= 10, iat= -1, 430, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 413, 414,
&end
#
# 30 ASP HB- 30 ASP HN 3.50 (# 46:10 Unique 2.52, 2.86 A)
&rst
ixpk= 46, nxpk= 10, iat= -1, 430, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 434, 435,
&end
#
# 30 ASP HB+ 30 ASP HN 2.80 (# 47:10 Unique 2.52, 2.86 A)
&rst
ixpk= 47, nxpk= 10, iat= -1, 430, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 434, 435,
&end
#
# 0 AMB 10-2:48 30 ASP HN 4.50 (# 48:10 Single Ambig)
&rst
ixpk= 48, nxpk= 10, iat= -1, 430, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 368, 369, 370,1479,
&end
#
# 45 ASN HA 56 LEU HN 5.50 (# 49:10 Unique 3.72, 3.78 A)
&rst
ixpk= 49, nxpk= 10, iat= 696, 877, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 55 PRO HA 56 LEU HN 2.80 (# 50:10 Unique 2.17, 2.18 A)
&rst
ixpk= 50, nxpk= 10, iat= 873, 877, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:51 56 LEU HN 3.50 (# 51:10 Single Ambig)
&rst
ixpk= 51, nxpk= 10, iat= -1, 877, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 870, 871, 867, 868, 852, 853,
&end
#
# 56 LEU HB- 56 LEU HN 2.80 (# 52:10 Unique 2.30, 2.48 A)
&rst
ixpk= 52, nxpk= 10, iat= -1, 877, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 881, 882,
&end
#
# 56 LEU HB+ 56 LEU HN 2.80 (# 53:10 Unique 2.30, 2.48 A)
&rst
ixpk= 53, nxpk= 10, iat= -1, 877, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 881, 882,
&end
#
# 48 ALA MB 56 LEU HN 5.50 (# 54:10 Unique 4.69, 5.36 A)
&rst
ixpk= 54, nxpk= 10, iat= -1, 877, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 747, 748, 749,
&end
#
# 56 LEU HG 56 LEU HN 4.50 (# 55:10 Unique 4.45, 4.46 A)
&rst
ixpk= 55, nxpk= 10, iat= 884, 877, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 56 LEU HA 56 LEU HN 3.50 (# 56:10 Unique 2.89, 2.90 A)
&rst
ixpk= 56, nxpk= 10, iat= 879, 877, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 77 ASP HA 78 MET HN 4.50 (# 57:10 Unique 3.61, 3.63 A)
&rst
ixpk= 57, nxpk= 10, iat=1187,1197, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 MET HA 78 MET HN 3.50 (# 58:10 Unique 2.83, 2.84 A)
&rst
ixpk= 58, nxpk= 10, iat=1199,1197, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 75 VAL HA 78 MET HN 4.50 (# 59:10 Unique 3.03, 3.10 A)
&rst
ixpk= 59, nxpk= 10, iat=1152,1197, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 77 ASP HB- 78 MET HN 3.50 (# 60:10 Unique 2.64, 3.36 A)
&rst
ixpk= 60, nxpk= 10, iat= -1,1197, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1189,1190,
&end
#
# 77 ASP HB+ 78 MET HN 3.50 (# 61:10 Unique 2.64, 3.36 A)
&rst
ixpk= 61, nxpk= 10, iat= -1,1197, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1189,1190,
&end
#
# 78 MET HB- 78 MET HN 2.80 (# 62:10 Unique 2.31, 2.53 A)
&rst
ixpk= 62, nxpk= 10, iat= -1,1197, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1201,1202,
&end
#
# 0 AMB 10-2:63 78 MET HN 4.50 (# 63:10 Single Ambig)
&rst
ixpk= 63, nxpk= 10, iat= -1,1197, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1204,1205,1218,1219,
&end
#
# 78 MET HB+ 78 MET HN 2.80 (# 64:10 Unique 2.31, 2.53 A)
&rst
ixpk= 64, nxpk= 10, iat= -1,1197, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1201,1202,
&end
#
# 0 AMB 10-2:65 78 MET HN 4.50 (# 65:10 Single Ambig)
&rst
ixpk= 65, nxpk= 10, iat= -1,1197, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1144,1145,1146,1229,1230,1231,
&end
#
# 64 LEU MDX 78 MET HN 5.50 (# 66:10 Unique 6.28, 7.97 A)
&rst
ixpk= 66, nxpk= 10, iat= -1,1197, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1012,1013,1014,1016,1017,1018,
&end
#
# 73 ILE QG2 78 MET HN 3.50 (# 67:10 Unique 2.69, 3.50 A)
&rst
ixpk= 67, nxpk= 10, iat= -1,1197, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1127,1128,1129,
&end
#
# 0 AMB 10-2:68 78 MET HN 4.50 (# 68:10 Single Ambig)
&rst
ixpk= 68, nxpk= 10, iat= -1,1197, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
&end
#
# 68 SER HB- 75 VAL HN 3.50 (# 70:10 Unique 3.23, 4.01 A)
&rst
ixpk= 70, nxpk= 10, iat= -1,1150, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1066,1067,
&end
#
# 0 AMB 10-2:71 75 VAL HN 5.50 (# 71:10 Single Ambig)
&rst
ixpk= 71, nxpk= 10, iat= -1,1150, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1173,1170,1171,
&end
#
# 75 VAL MGY 75 VAL HN 3.50 (# 73:10 Unique 2.00, 3.73 A)
&rst
ixpk= 73, nxpk= 10, iat= -1,1150, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1156,1157,1158,1160,1161,1162,
&end
#
# 74 ALA HA 75 VAL HN 2.80 (# 74:10 Unique 2.23, 2.28 A)
&rst
ixpk= 74, nxpk= 10, iat=1142,1150, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 75 VAL HB 75 VAL HN 2.80 (# 75:10 Unique 2.50, 2.54 A)
&rst
ixpk= 75, nxpk= 10, iat=1154,1150, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 74 ALA MB 75 VAL HN 2.80 (# 76:10 Unique 2.61, 3.60 A)
&rst
ixpk= 76, nxpk= 10, iat= -1,1150, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1144,1145,1146,
&end
#
# 75 VAL MGX 75 VAL HN 2.80 (# 77:10 Unique 2.00, 3.73 A)
&rst
ixpk= 77, nxpk= 10, iat= -1,1150, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1156,1157,1158,1160,1161,1162,
&end
#
# 0 AMB 10-2:78 27 ILE HN 5.50 (# 78:10 Single Ambig)
&rst
ixpk= 78, nxpk= 10, iat= -1, 390, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 337, 338, 413, 414,
&end
#
# 27 ILE HB 27 ILE HN 2.80 (# 79:10 Unique 2.05, 2.08 A)
&rst
ixpk= 79, nxpk= 10, iat= 394, 390, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 27 ILE HG1- 27 ILE HN 3.50 (# 80:10 Unique 2.30, 3.17 A)
&rst
ixpk= 80, nxpk= 10, iat= -1, 390, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 400, 401,
&end
#
# 24 ALA HA 27 ILE HN 3.50 (# 81:10 Unique 3.27, 3.37 A)
&rst
ixpk= 81, nxpk= 10, iat= 356, 390, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 ILE HA 27 ILE HN 2.80 (# 82:10 Unique 2.80, 2.81 A)
&rst
ixpk= 82, nxpk= 10, iat= 392, 390, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 26 VAL HB 27 ILE HN 3.50 (# 83:10 Unique 2.55, 2.64 A)
&rst
ixpk= 83, nxpk= 10, iat= 378, 390, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 ILE HG1+ 27 ILE HN 3.50 (# 84:10 Unique 2.30, 3.17 A)
&rst
ixpk= 84, nxpk= 10, iat= -1, 390, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 400, 401,
&end
#
# 26 VAL MGX 27 ILE HN 3.50 (# 85:10 Unique 3.59, 4.60 A)
&rst
ixpk= 85, nxpk= 10, iat= -1, 390, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 27 ILE QD1 27 ILE HN 3.50 (# 86:10 Unique 3.29, 4.23 A)
&rst
ixpk= 86, nxpk= 10, iat= -1, 390, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 403, 404, 405,
&end
#
# 40 THR HB 41 LEU HN 3.50 (# 87:10 Unique 3.25, 3.31 A)
&rst
ixpk= 87, nxpk= 10, iat= 619, 629, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 41 LEU HA 41 LEU HN 3.50 (# 88:10 Unique 2.79, 2.82 A)
&rst
ixpk= 88, nxpk= 10, iat= 631, 629, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 41 LEU HB- 41 LEU HN 2.80 (# 89:10 Unique 2.11, 2.77 A)
&rst
ixpk= 89, nxpk= 10, iat= -1, 629, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 633, 634,
&end
#
# 40 THR MG2 41 LEU HN 3.50 (# 90:10 Unique 2.34, 3.57 A)
&rst
ixpk= 90, nxpk= 10, iat= -1, 629, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 621, 622, 623,
&end
#
# 76 LEU MDX 41 LEU HN 3.50 (# 91:10 Unique 2.86, 4.68 A)
&rst
ixpk= 91, nxpk= 10, iat= -1, 629, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1175,1176,1177,1179,1180,1181,
&end
#
# 41 LEU MDX 41 LEU HN 4.50 (# 92:10 Unique 2.55, 4.64 A)
&rst
ixpk= 92, nxpk= 10, iat= -1, 629, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 76 LEU MDY 41 LEU HN 3.50 (# 93:10 Unique 2.86, 4.68 A)
&rst
ixpk= 93, nxpk= 10, iat= -1, 629, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1175,1176,1177,1179,1180,1181,
&end
#
# 96 LEU MDY 25 ALA HN 5.50 (# 94:10 Unique 2.90, 4.78 A)
&rst
ixpk= 94, nxpk= 10, iat= -1, 364, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 95 ILE QG2 25 ALA HN 5.50 (# 95:10 Unique 4.68, 5.05 A)
&rst
ixpk= 95, nxpk= 10, iat= -1, 364, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1459,1460,1461,
&end
#
# 22 LEU MDX 25 ALA HN 5.50 (# 96:10 Unique 4.86, 6.80 A)
&rst
ixpk= 96, nxpk= 10, iat= -1, 364, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 66 PRO HA 69 ALA HN 4.50 (# 97:10 Unique 3.32, 3.51 A)
&rst
ixpk= 97, nxpk= 10, iat=1039,1073, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:98 69 ALA HN 2.80 (# 98:10 Single Ambig)
&rst
ixpk= 98, nxpk= 10, iat= -1,1073, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1075,1024,1025,
&end
#
# 68 SER HB- 69 ALA HN 2.80 (# 99:10 Unique 2.44, 3.19 A)
&rst
ixpk= 99, nxpk= 10, iat= -1,1073, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1066,1067,
&end
#
# 69 ALA MB 69 ALA HN 2.80 (# 100:10 Unique 2.52, 2.90 A)
&rst
ixpk= 100, nxpk= 10, iat= -1,1073, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1077,1078,1079,
&end
#
# 25 ALA HA 25 ALA HN 3.50 (# 101:10 Unique 2.85, 2.86 A)
&rst
ixpk= 101, nxpk= 10, iat= 366, 364, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 LEU HA 25 ALA HN 3.50 (# 102:10 Unique 3.04, 3.25 A)
&rst
ixpk= 102, nxpk= 10, iat= 316, 364, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:103 25 ALA HN 2.80 (# 103:10 Single Ambig)
&rst
ixpk= 103, nxpk= 10, iat= -1, 364, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 368, 369, 370, 358, 359, 360,
&end
#
# 96 LEU MDX 25 ALA HN 4.50 (# 104:10 Unique 2.90, 4.78 A)
&rst
ixpk= 104, nxpk= 10, iat= -1, 364, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 64 LEU HB+ 69 ALA HN 5.50 (# 105:10 Unique 5.79, 6.21 A)
&rst
ixpk= 105, nxpk= 10, iat= -1,1073, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1007,1008,
&end
#
# 26 VAL MGX 25 ALA HN 4.50 (# 106:10 Unique 4.33, 6.31 A)
&rst
ixpk= 106, nxpk= 10, iat= -1, 364, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 96 LEU MDY 25 ALA HN 5.50 (# 107:10 Unique 2.90, 4.78 A)
&rst
ixpk= 107, nxpk= 10, iat= -1, 364, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 0 AMB 10-2:108 63 ILE HN 3.50 (# 108:10 Single Ambig)
&rst
ixpk= 108, nxpk= 10, iat= -1, 984, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 941, 974, 929,
&end
#
# 63 ILE HA 63 ILE HN 3.50 (# 109:10 Unique 2.86, 2.87 A)
&rst
ixpk= 109, nxpk= 10, iat= 986, 984, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 62 ASP HB- 63 ILE HN 3.50 (# 110:10 Unique 2.79, 3.48 A)
&rst
ixpk= 110, nxpk= 10, iat= -1, 984, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 976, 977,
&end
#
# 62 ASP HB+ 63 ILE HN 3.50 (# 111:10 Unique 2.79, 3.48 A)
&rst
ixpk= 111, nxpk= 10, iat= -1, 984, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 976, 977,
&end
#
# 63 ILE HB 63 ILE HN 2.80 (# 112:10 Unique 2.49, 2.54 A)
&rst
ixpk= 112, nxpk= 10, iat= 988, 984, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 63 ILE HG1+ 63 ILE HN 2.80 (# 113:10 Unique 2.14, 2.90 A)
&rst
ixpk= 113, nxpk= 10, iat= -1, 984, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 994, 995,
&end
#
# 63 ILE HG1- 63 ILE HN 3.50 (# 114:10 Unique 2.14, 2.90 A)
&rst
ixpk= 114, nxpk= 10, iat= -1, 984, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 994, 995,
&end
#
# 0 AMB 10-2:115 63 ILE HN 2.80 (# 115:10 Single Ambig)
&rst
ixpk= 115, nxpk= 10, iat= -1, 984, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 997, 998, 999, 221, 222, 223, 225, 226, 227, 990,
991, 992,1012,1013,1014,1016,1017,1018,
&end
#
# 119 PHE HA 119 PHE HN 2.80 (# 116:10 Unique 2.21, 2.78 A)
&rst
ixpk= 116, nxpk= 10, iat=1817,1815, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 118 THR HA 119 PHE HN 3.50 (# 118:10 Unique 2.14, 2.43 A)
&rst
ixpk= 118, nxpk= 10, iat=1803,1815, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 THR HB 119 PHE HN 3.50 (# 119:10 Unique 2.07, 2.72 A)
&rst
ixpk= 119, nxpk= 10, iat=1805,1815, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 119 PHE HB+ 119 PHE HN 3.50 (# 121:10 Unique 2.34, 3.27 A)
&rst
ixpk= 121, nxpk= 10, iat= -1,1815, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1819,1820,
&end
#
# 76 LEU MDY 80 ALA HN 5.50 (# 122:10 Unique 5.99, 7.34 A)
&rst
ixpk= 122, nxpk= 10, iat= -1,1225, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1175,1176,1177,1179,1180,1181,
&end
#
# 17 ASN HA 18 VAL HN 5.50 (# 123:10 Unique 3.58, 3.60 A)
&rst
ixpk= 123, nxpk= 10, iat= 233, 245, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 17 ASN HB- 18 VAL HN 3.50 (# 124:10 Unique 2.49, 3.30 A)
&rst
ixpk= 124, nxpk= 10, iat= -1, 245, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 235, 236,
&end
#
# 18 VAL HB 18 VAL HN 2.80 (# 126:10 Unique 2.49, 2.64 A)
&rst
ixpk= 126, nxpk= 10, iat= 249, 245, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 18 VAL MGX 18 VAL HN 4.50 (# 127:10 Unique 2.02, 3.77 A)
&rst
ixpk= 127, nxpk= 10, iat= -1, 245, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 251, 252, 253, 255, 256, 257,
&end
#
# 18 VAL MGY 18 VAL HN 2.80 (# 128:10 Unique 2.02, 3.77 A)
&rst
ixpk= 128, nxpk= 10, iat= -1, 245, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 251, 252, 253, 255, 256, 257,
&end
#
# 18 VAL HA 18 VAL HN 4.50 (# 129:10 Unique 2.84, 2.88 A)
&rst
ixpk= 129, nxpk= 10, iat= 247, 245, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 118 THR MG2 119 PHE HN 4.50 (# 130:10 Unique 2.79, 4.37 A)
&rst
ixpk= 130, nxpk= 10, iat= -1,1815, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1807,1808,1809,
&end
#
# 80 ALA HA 80 ALA HN 2.80 (# 132:10 Unique 2.82, 2.82 A)
&rst
ixpk= 132, nxpk= 10, iat=1227,1225, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 79 CYS HB- 80 ALA HN 3.50 (# 133:10 Unique 2.39, 2.92 A)
&rst
ixpk= 133, nxpk= 10, iat= -1,1225, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1218,1219,
&end
#
# 79 CYS HB+ 80 ALA HN 3.50 (# 134:10 Unique 2.39, 2.92 A)
&rst
ixpk= 134, nxpk= 10, iat= -1,1225, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1218,1219,
&end
#
# 0 AMB 10-2:135 80 ALA HN 4.50 (# 135:10 Single Ambig)
&rst
ixpk= 135, nxpk= 10, iat= -1,1225, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1239,1240,1241,1201,1202,
&end
#
# 80 ALA MB 80 ALA HN 2.80 (# 136:10 Unique 2.32, 2.82 A)
&rst
ixpk= 136, nxpk= 10, iat= -1,1225, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1229,1230,1231,
&end
#
# 39 THR MG2 80 ALA HN 3.50 (# 137:10 Unique 2.50, 3.82 A)
&rst
ixpk= 137, nxpk= 10, iat= -1,1225, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 607, 608, 609,
&end
#
# 0 AMB 10-2:138 80 ALA HN 3.50 (# 138:10 Single Ambig)
&rst
ixpk= 138, nxpk= 10, iat= -1,1225, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1187, 589,
&end
#
# 79 CYS HA 80 ALA HN 4.50 (# 139:10 Unique 3.62, 3.62 A)
&rst
ixpk= 139, nxpk= 10, iat=1216,1225, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 THR MG2 13 THR HN 4.50 (# 140:10 Unique 4.37, 4.51 A)
&rst
ixpk= 140, nxpk= 10, iat= -1, 165, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 171, 172, 173,
&end
#
# 0 AMB 10-2:142 0 AMB 10-1:142 2.80 (# 142:10 Double Ambig)
&rst
ixpk= 142, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 143, 144, 169,
igr2= 139, 165,
&end
#
# 12 THR MG2 13 THR HN 3.50 (# 143:10 Unique 2.56, 4.00 A)
&rst
ixpk= 143, nxpk= 10, iat= -1, 165, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 157, 158, 159,
&end
#
# 0 AMB 10-2:144 0 AMB 10-1:144 3.50 (# 144:10 Double Ambig)
&rst
ixpk= 144, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 167, 120, 121,
igr2= 165, 139,
&end
#
# 12 THR HB 13 THR HN 3.50 (# 145:10 Unique 2.84, 3.21 A)
&rst
ixpk= 145, nxpk= 10, iat= 155, 165, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 10 THR HB 11 ASP HN 3.50 (# 146:10 Unique 2.04, 3.06 A)
&rst
ixpk= 146, nxpk= 10, iat= 129, 139, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 TRP HA 24 ALA HN 4.50 (# 147:10 Unique 3.02, 3.12 A)
&rst
ixpk= 147, nxpk= 10, iat= 292, 354, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 24 ALA HA 24 ALA HN 3.50 (# 148:10 Unique 2.81, 2.82 A)
&rst
ixpk= 148, nxpk= 10, iat= 356, 354, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 23 TYR HB- 24 ALA HN 3.50 (# 149:10 Unique 2.73, 3.17 A)
&rst
ixpk= 149, nxpk= 10, iat= -1, 354, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 337, 338,
&end
#
# 24 ALA MB 24 ALA HN 2.80 (# 150:10 Unique 2.40, 2.91 A)
&rst
ixpk= 150, nxpk= 10, iat= -1, 354, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 358, 359, 360,
&end
#
# 53 TYR HA 54 GLU HN 2.80 (# 151:10 Unique 2.27, 2.32 A)
&rst
ixpk= 151, nxpk= 10, iat= 829, 848, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 54 GLU HA 54 GLU HN 3.50 (# 152:10 Unique 2.90, 2.93 A)
&rst
ixpk= 152, nxpk= 10, iat= 850, 848, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:153 54 GLU HN 3.50 (# 153:10 Single Ambig)
&rst
ixpk= 153, nxpk= 10, iat= -1, 848, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 155, 181,
&end
#
# 53 TYR HB- 54 GLU HN 4.50 (# 154:10 Unique 2.58, 3.33 A)
&rst
ixpk= 154, nxpk= 10, iat= -1, 848, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 831, 832,
&end
#
# 54 GLU HG- 54 GLU HN 3.50 (# 155:10 Unique 2.41, 3.07 A)
&rst
ixpk= 155, nxpk= 10, iat= -1, 848, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 855, 856,
&end
#
# 0 AMB 10-2:156 54 GLU HN 2.80 (# 156:10 Single Ambig)
&rst
ixpk= 156, nxpk= 10, iat= -1, 848, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 852, 853, 852, 853,
&end
#
# 12 THR MG2 54 GLU HN 3.50 (# 157:10 Unique 3.17, 4.17 A)
&rst
ixpk= 157, nxpk= 10, iat= -1, 848, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 157, 158, 159,
&end
#
# 81 ALA HA 81 ALA HN 3.50 (# 158:10 Unique 2.83, 2.85 A)
&rst
ixpk= 158, nxpk= 10, iat=1237,1235, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 81 ALA MB 81 ALA HN 2.80 (# 159:10 Unique 2.42, 2.89 A)
&rst
ixpk= 159, nxpk= 10, iat= -1,1235, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1239,1240,1241,
&end
#
# 80 ALA MB 81 ALA HN 2.80 (# 160:10 Unique 2.67, 3.55 A)
&rst
ixpk= 160, nxpk= 10, iat= -1,1235, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1229,1230,1231,
&end
#
# 78 MET HA 81 ALA HN 3.50 (# 161:10 Unique 3.05, 3.16 A)
&rst
ixpk= 161, nxpk= 10, iat=1199,1235, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 80 ALA HA 81 ALA HN 4.50 (# 162:10 Unique 3.58, 3.60 A)
&rst
ixpk= 162, nxpk= 10, iat=1227,1235, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 TYR HA 24 ALA HN 3.50 (# 163:10 Unique 3.54, 3.55 A)
&rst
ixpk= 163, nxpk= 10, iat= 335, 354, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 23 TYR HB+ 24 ALA HN 4.50 (# 164:10 Unique 2.73, 3.17 A)
&rst
ixpk= 164, nxpk= 10, iat= -1, 354, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 337, 338,
&end
#
# 0 AMB 10-2:165 24 ALA HN 4.50 (# 165:10 Single Ambig)
&rst
ixpk= 165, nxpk= 10, iat= -1, 354, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1052,1053,1054,1056,1057,1058, 403, 404, 405,
&end
#
# 33 PHE HD 34 LEU HN 5.50 (# 166:10 Unique 3.41, 4.42 A)
&rst
ixpk= 166, nxpk= 10, iat= -1, 510, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 498, 506,
&end
#
# 34 LEU HB+ 34 LEU HN 3.50 (# 167:10 Unique 2.19, 2.90 A)
&rst
ixpk= 167, nxpk= 10, iat= -1, 510, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 514, 515,
&end
#
# 0 AMB 10-2:169 34 LEU HN 3.50 (# 169:10 Single Ambig)
&rst
ixpk= 169, nxpk= 10, iat= -1, 510, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 512, 492,
&end
#
# 34 LEU HB- 34 LEU HN 2.80 (# 170:10 Unique 2.19, 2.90 A)
&rst
ixpk= 170, nxpk= 10, iat= -1, 510, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 514, 515,
&end
#
# 34 LEU MDX 34 LEU HN 4.50 (# 172:10 Unique 2.22, 4.15 A)
&rst
ixpk= 172, nxpk= 10, iat= -1, 510, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 519, 520, 521, 523, 524, 525,
&end
#
# 0 AMB 10-2:173 34 LEU HN 5.50 (# 173:10 Single Ambig)
&rst
ixpk= 173, nxpk= 10, iat= -1, 510, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 446, 447,1239,1240,1241,
&end
#
# 45 ASN HA 48 ALA HN 4.50 (# 174:10 Unique 3.23, 3.32 A)
&rst
ixpk= 174, nxpk= 10, iat= 696, 743, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 VAL HA 48 ALA HN 4.50 (# 175:10 Unique 3.62, 3.63 A)
&rst
ixpk= 175, nxpk= 10, iat= 729, 743, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 48 ALA HA 48 ALA HN 3.50 (# 176:10 Unique 2.73, 2.75 A)
&rst
ixpk= 176, nxpk= 10, iat= 745, 743, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 47 VAL HB 48 ALA HN 2.80 (# 177:10 Unique 2.39, 2.45 A)
&rst
ixpk= 177, nxpk= 10, iat= 731, 743, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 47 VAL MGY 48 ALA HN 3.50 (# 178:10 Unique 3.37, 4.46 A)
&rst
ixpk= 178, nxpk= 10, iat= -1, 743, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 10-2:180 48 ALA HN 2.80 (# 180:10 Single Ambig)
&rst
ixpk= 180, nxpk= 10, iat= -1, 743, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 747, 748, 749, 733, 734, 735, 737, 738, 739,
&end
#
# 1 ASP HA 2 ARG HN 3.50 (# 181:10 Unique 2.19, 2.58 A)
&rst
ixpk= 181, nxpk= 10, iat= 6, 16, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 94 THR HA 95 ILE HN 2.80 (# 182:10 Unique 2.28, 2.42 A)
&rst
ixpk= 182, nxpk= 10, iat=1441,1453, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:183 95 ILE HN 4.50 (# 183:10 Single Ambig)
&rst
ixpk= 183, nxpk= 10, iat= -1,1453, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1502,1503,1511,
&end
#
# 95 ILE HA 95 ILE HN 3.50 (# 184:10 Unique 2.94, 2.96 A)
&rst
ixpk= 184, nxpk= 10, iat=1455,1453, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:185 95 ILE HN 5.50 (# 185:10 Single Ambig)
&rst
ixpk= 185, nxpk= 10, iat= -1,1453, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1502,1503,1493,1494,
&end
#
# 94 THR HB 95 ILE HN 2.80 (# 186:10 Unique 2.29, 2.52 A)
&rst
ixpk= 186, nxpk= 10, iat=1443,1453, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 90 MET ME 95 ILE HN 3.50 (# 187:10 Unique 2.63, 3.70 A)
&rst
ixpk= 187, nxpk= 10, iat= -1,1453, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1388,1389,1390,
&end
#
# 95 ILE HG1- 95 ILE HN 4.50 (# 188:10 Unique 3.20, 3.81 A)
&rst
ixpk= 188, nxpk= 10, iat= -1,1453, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1463,1464,
&end
#
# 95 ILE HB 95 ILE HN 3.50 (# 189:10 Unique 2.68, 2.76 A)
&rst
ixpk= 189, nxpk= 10, iat=1457,1453, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 94 THR MG2 95 ILE HN 4.50 (# 190:10 Unique 3.62, 4.44 A)
&rst
ixpk= 190, nxpk= 10, iat= -1,1453, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1445,1446,1447,
&end
#
# 95 ILE QG2 95 ILE HN 4.50 (# 191:10 Unique 4.26, 4.72 A)
&rst
ixpk= 191, nxpk= 10, iat= -1,1453, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1459,1460,1461,
&end
#
# 95 ILE QD1 95 ILE HN 5.50 (# 192:10 Unique 4.55, 5.36 A)
&rst
ixpk= 192, nxpk= 10, iat= -1,1453, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1466,1467,1468,
&end
#
# 18 VAL HA 21 TRP HN 3.50 (# 194:10 Unique 3.21, 3.33 A)
&rst
ixpk= 194, nxpk= 10, iat= 247, 290, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 TRP HA 21 TRP HN 3.50 (# 195:10 Unique 2.83, 2.83 A)
&rst
ixpk= 195, nxpk= 10, iat= 292, 290, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:196 21 TRP HN 3.50 (# 196:10 Single Ambig)
&rst
ixpk= 196, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 282,1625,
&end
#
# 21 TRP HB- 21 TRP HN 2.80 (# 197:10 Unique 2.23, 2.46 A)
&rst
ixpk= 197, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 294, 295,
&end
#
# 21 TRP HB+ 21 TRP HN 2.80 (# 198:10 Unique 2.23, 2.46 A)
&rst
ixpk= 198, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 294, 295,
&end
#
# 20 ALA MB 21 TRP HN 3.50 (# 199:10 Unique 2.47, 3.34 A)
&rst
ixpk= 199, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 284, 285, 286,
&end
#
# 0 AMB 10-2:200 21 TRP HN 4.50 (# 200:10 Single Ambig)
&rst
ixpk= 200, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1689,1690,1691,1693,1694,1695,1012,1013,1014,1016,
1017,1018,
&end
#
# 102 GLU HA 103 ASP HN 2.80 (# 201:10 Unique 2.29, 2.34 A)
&rst
ixpk= 201, nxpk= 10, iat=1563,1576, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 103 ASP HB+ 103 ASP HN 4.50 (# 202:10 Unique 2.44, 3.32 A)
&rst
ixpk= 202, nxpk= 10, iat= -1,1576, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1580,1581,
&end
#
# 103 ASP HB- 103 ASP HN 5.50 (# 203:10 Unique 2.44, 3.32 A)
&rst
ixpk= 203, nxpk= 10, iat= -1,1576, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1580,1581,
&end
#
# 102 GLU HB+ 103 ASP HN 5.50 (# 204:10 Unique 2.49, 3.29 A)
&rst
ixpk= 204, nxpk= 10, iat= -1,1576, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1565,1566,
&end
#
# 105 PHE HB+ 105 PHE HN 2.80 (# 205:10 Unique 2.60, 3.26 A)
&rst
ixpk= 205, nxpk= 10, iat= -1,1603, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1607,1608,
&end
#
# 0 AMB 10-2:206 105 PHE HN 5.50 (# 206:10 Single Ambig)
&rst
ixpk= 206, nxpk= 10, iat= -1,1603, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1592,1593,1595,1596,
&end
#
# 105 PHE HA 105 PHE HN 3.50 (# 207:10 Unique 2.97, 2.99 A)
&rst
ixpk= 207, nxpk= 10, iat=1605,1603, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 104 GLU HA 105 PHE HN 4.50 (# 208:10 Unique 3.04, 3.25 A)
&rst
ixpk= 208, nxpk= 10, iat=1590,1603, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 100 ILE HA 101 LEU HN 2.80 (# 209:10 Unique 2.27, 2.34 A)
&rst
ixpk= 209, nxpk= 10, iat=1525,1542, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 101 LEU HA 101 LEU HN 4.50 (# 210:10 Unique 2.91, 2.93 A)
&rst
ixpk= 210, nxpk= 10, iat=1544,1542, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:211 101 LEU HN 2.80 (# 211:10 Single Ambig)
&rst
ixpk= 211, nxpk= 10, iat= -1,1542, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1549,1527,1546,1547,
&end
#
# 101 LEU HB+ 101 LEU HN 3.50 (# 212:10 Unique 2.47, 3.11 A)
&rst
ixpk= 212, nxpk= 10, iat= -1,1542, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1546,1547,
&end
#
# 0 AMB 10-2:213 0 AMB 10-1:213 2.80 (# 213:10 Double Ambig)
&rst
ixpk= 213, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.69, r4= 5.44,
igr1=1565,1566,1529,1530,1531,1551,1552,1553,1555,1556,
1557,
igr2=1576,1542,
&end
#
# 0 AMB 10-2:214 77 ASP HN 3.50 (# 214:10 Single Ambig)
&rst
ixpk= 214, nxpk= 10, iat= -1,1185, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1187, 589,
&end
#
# 76 LEU HA 77 ASP HN 4.50 (# 215:10 Unique 3.49, 3.53 A)
&rst
ixpk= 215, nxpk= 10, iat=1168,1185, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 77 ASP HB- 77 ASP HN 2.80 (# 216:10 Unique 2.38, 2.57 A)
&rst
ixpk= 216, nxpk= 10, iat= -1,1185, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1189,1190,
&end
#
# 77 ASP HB+ 77 ASP HN 3.50 (# 217:10 Unique 2.38, 2.57 A)
&rst
ixpk= 217, nxpk= 10, iat= -1,1185, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1189,1190,
&end
#
# 76 LEU HB- 77 ASP HN 3.50 (# 218:10 Unique 2.82, 3.47 A)
&rst
ixpk= 218, nxpk= 10, iat= -1,1185, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1170,1171,
&end
#
# 78 MET HB+ 77 ASP HN 4.50 (# 219:10 Unique 4.52, 4.68 A)
&rst
ixpk= 219, nxpk= 10, iat= -1,1185, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1201,1202,
&end
#
# 74 ALA MB 77 ASP HN 3.50 (# 220:10 Unique 2.66, 3.64 A)
&rst
ixpk= 220, nxpk= 10, iat= -1,1185, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1144,1145,1146,
&end
#
# 73 ILE QG2 77 ASP HN 4.50 (# 221:10 Unique 3.85, 4.76 A)
&rst
ixpk= 221, nxpk= 10, iat= -1,1185, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1127,1128,1129,
&end
#
# 37 PHE HA 37 PHE HN 2.80 (# 222:10 Unique 2.80, 2.92 A)
&rst
ixpk= 222, nxpk= 10, iat= 569, 567, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 36 ARG HA 37 PHE HN 3.50 (# 223:10 Unique 2.58, 3.06 A)
&rst
ixpk= 223, nxpk= 10, iat= 545, 567, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 ASN HB- 37 PHE HN 3.50 (# 224:10 Unique 2.58, 3.79 A)
&rst
ixpk= 224, nxpk= 10, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 533, 534,
&end
#
# 36 ARG HB- 37 PHE HN 4.50 (# 225:10 Unique 3.32, 4.28 A)
&rst
ixpk= 225, nxpk= 10, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 547, 548,
&end
#
# 0 AMB 10-2:226 37 PHE HN 5.50 (# 226:10 Single Ambig)
&rst
ixpk= 226, nxpk= 10, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 550, 551, 514, 515,
&end
#
# 37 PHE HB- 37 PHE HN 3.50 (# 227:10 Unique 2.49, 3.26 A)
&rst
ixpk= 227, nxpk= 10, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 571, 572,
&end
#
# 37 PHE HB+ 37 PHE HN 2.80 (# 228:10 Unique 2.49, 3.26 A)
&rst
ixpk= 228, nxpk= 10, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 571, 572,
&end
#
# 0 AMB 10-2:229 37 PHE HN 3.50 (# 229:10 Single Ambig)
&rst
ixpk= 229, nxpk= 10, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1229,1230,1231, 547, 548,
&end
#
# 82 LEU MDX 85 LEU HN 5.50 (# 230:10 Unique 4.17, 5.68 A)
&rst
ixpk= 230, nxpk= 10, iat= -1,1301, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1254,1255,1256,1258,1259,1260,
&end
#
# 85 LEU HA 85 LEU HN 2.80 (# 231:10 Unique 2.78, 2.80 A)
&rst
ixpk= 231, nxpk= 10, iat=1303,1301, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 84 GLU HB- 85 LEU HN 3.50 (# 232:10 Unique 2.50, 3.24 A)
&rst
ixpk= 232, nxpk= 10, iat= -1,1301, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1290,1291,
&end
#
# 85 LEU HB- 85 LEU HN 2.80 (# 233:10 Unique 2.13, 2.86 A)
&rst
ixpk= 233, nxpk= 10, iat= -1,1301, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1305,1306,
&end
#
# 85 LEU MDY 85 LEU HN 3.50 (# 234:10 Unique 2.10, 3.81 A)
&rst
ixpk= 234, nxpk= 10, iat= -1,1301, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1310,1311,1312,1314,1315,1316,
&end
#
# 85 LEU HG 85 LEU HN 3.50 (# 235:10 Unique 3.62, 3.65 A)
&rst
ixpk= 235, nxpk= 10, iat=1308,1301, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:236 44 PHE HN 4.50 (# 236:10 Single Ambig)
&rst
ixpk= 236, nxpk= 10, iat= -1, 674, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 664, 650,
&end
#
# 41 LEU HA 44 PHE HN 4.50 (# 237:10 Unique 3.51, 3.73 A)
&rst
ixpk= 237, nxpk= 10, iat= 631, 674, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 PHE HA 44 PHE HN 3.50 (# 238:10 Unique 2.81, 2.83 A)
&rst
ixpk= 238, nxpk= 10, iat= 676, 674, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 44 PHE HB- 44 PHE HN 2.80 (# 239:10 Unique 2.33, 2.48 A)
&rst
ixpk= 239, nxpk= 10, iat= -1, 674, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 678, 679,
&end
#
# 44 PHE HB+ 44 PHE HN 2.80 (# 240:10 Unique 2.33, 2.48 A)
&rst
ixpk= 240, nxpk= 10, iat= -1, 674, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 678, 679,
&end
#
# 43 ASP HB- 44 PHE HN 3.50 (# 241:10 Unique 2.48, 3.25 A)
&rst
ixpk= 241, nxpk= 10, iat= -1, 674, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 666, 667,
&end
#
# 43 ASP HB+ 44 PHE HN 4.50 (# 242:10 Unique 2.48, 3.25 A)
&rst
ixpk= 242, nxpk= 10, iat= -1, 674, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 666, 667,
&end
#
# 52 ASN HA 53 TYR HN 2.80 (# 243:10 Unique 2.37, 2.45 A)
&rst
ixpk= 243, nxpk= 10, iat= 815, 827, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 49 MET HA 53 TYR HN 3.50 (# 244:10 Unique 2.09, 2.25 A)
&rst
ixpk= 244, nxpk= 10, iat= 755, 827, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 53 TYR HB- 53 TYR HN 3.50 (# 245:10 Unique 2.29, 3.07 A)
&rst
ixpk= 245, nxpk= 10, iat= -1, 827, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 831, 832,
&end
#
# 53 TYR HB+ 53 TYR HN 2.80 (# 246:10 Unique 2.29, 3.07 A)
&rst
ixpk= 246, nxpk= 10, iat= -1, 827, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 831, 832,
&end
#
# 53 TYR HA 53 TYR HN 3.50 (# 247:10 Unique 2.98, 2.99 A)
&rst
ixpk= 247, nxpk= 10, iat= 829, 827, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:248 53 TYR HN 5.50 (# 248:10 Single Ambig)
&rst
ixpk= 248, nxpk= 10, iat= -1, 827, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 796, 797, 745,
&end
#
# 85 LEU HB+ 85 LEU HN 3.50 (# 249:10 Unique 2.13, 2.86 A)
&rst
ixpk= 249, nxpk= 10, iat= -1,1301, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1305,1306,
&end
#
# 17 ASN HA 20 ALA HN 5.50 (# 250:10 Unique 3.07, 3.14 A)
&rst
ixpk= 250, nxpk= 10, iat= 233, 280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 109 ASP HA 109 ASP HN 3.50 (# 252:10 Unique 2.90, 2.93 A)
&rst
ixpk= 252, nxpk= 10, iat=1673,1671, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 108 PHE HA 109 ASP HN 4.50 (# 253:10 Unique 3.57, 3.59 A)
&rst
ixpk= 253, nxpk= 10, iat=1653,1671, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:254 109 ASP HN 2.80 (# 254:10 Single Ambig)
&rst
ixpk= 254, nxpk= 10, iat= -1,1671, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1675,1676,1655,1656,
&end
#
# 108 PHE HB+ 109 ASP HN 2.80 (# 255:10 Unique 2.89, 3.46 A)
&rst
ixpk= 255, nxpk= 10, iat= -1,1671, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1655,1656,
&end
#
# 109 ASP HB+ 109 ASP HN 3.50 (# 256:10 Unique 2.44, 2.63 A)
&rst
ixpk= 256, nxpk= 10, iat= -1,1671, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1675,1676,
&end
#
# 0 AMB 10-2:257 109 ASP HN 4.50 (# 257:10 Single Ambig)
&rst
ixpk= 257, nxpk= 10, iat= -1,1671, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 284, 285, 286,1629,1630,1631,1050,
&end
#
# 0 AMB 10-2:258 109 ASP HN 4.50 (# 258:10 Single Ambig)
&rst
ixpk= 258, nxpk= 10, iat= -1,1671, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1689,1690,1691,1693,1694,1695,1705,1706,1707,1709,
1710,1711,
&end
#
# 68 SER HB- 73 ILE HN 5.50 (# 259:10 Unique 4.19, 5.02 A)
&rst
ixpk= 259, nxpk= 10, iat= -1,1121, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1066,1067,
&end
#
# 47 VAL HA 50 LYS HN 4.50 (# 260:10 Unique 3.79, 3.95 A)
&rst
ixpk= 260, nxpk= 10, iat= 729, 770, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:261 50 LYS HN 4.50 (# 261:10 Single Ambig)
&rst
ixpk= 261, nxpk= 10, iat= -1, 770, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 747, 748, 749, 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 10-2:262 0 AMB 10-1:262 3.50 (# 262:10 Double Ambig)
&rst
ixpk= 262, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 282,1647,
igr2= 280,1699,
&end
#
# 20 ALA MB 20 ALA HN 2.80 (# 263:10 Unique 2.45, 2.88 A)
&rst
ixpk= 263, nxpk= 10, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 284, 285, 286,
&end
#
# 73 ILE HA 73 ILE HN 3.50 (# 264:10 Unique 2.88, 2.97 A)
&rst
ixpk= 264, nxpk= 10, iat=1123,1121, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 71 THR HB 73 ILE HN 4.50 (# 265:10 Unique 2.87, 3.60 A)
&rst
ixpk= 265, nxpk= 10, iat=1104,1121, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 72 GLY HA- 73 ILE HN 2.80 (# 266:10 Unique 2.97, 3.28 A)
&rst
ixpk= 266, nxpk= 10, iat= -1,1121, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1116,1117,
&end
#
# 72 GLY HA+ 73 ILE HN 3.50 (# 267:10 Unique 2.97, 3.28 A)
&rst
ixpk= 267, nxpk= 10, iat= -1,1121, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1116,1117,
&end
#
# 73 ILE HB 73 ILE HN 2.80 (# 268:10 Unique 2.20, 2.44 A)
&rst
ixpk= 268, nxpk= 10, iat=1125,1121, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 73 ILE HG1+ 73 ILE HN 3.50 (# 269:10 Unique 2.37, 3.77 A)
&rst
ixpk= 269, nxpk= 10, iat= -1,1121, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1131,1132,
&end
#
# 0 AMB 10-2:270 73 ILE HN 4.50 (# 270:10 Single Ambig)
&rst
ixpk= 270, nxpk= 10, iat= -1,1121, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1127,1128,1129, 380, 381, 382, 384, 385, 386,
&end
#
# 73 ILE QD1 73 ILE HN 3.50 (# 271:10 Unique 3.12, 4.46 A)
&rst
ixpk= 271, nxpk= 10, iat= -1,1121, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1134,1135,1136,
&end
#
# 73 ILE HG1- 73 ILE HN 3.50 (# 272:10 Unique 2.37, 3.77 A)
&rst
ixpk= 272, nxpk= 10, iat= -1,1121, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1131,1132,
&end
#
# 49 MET HA 50 LYS HN 5.50 (# 273:10 Unique 3.53, 3.54 A)
&rst
ixpk= 273, nxpk= 10, iat= 755, 770, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 LYS HA 50 LYS HN 3.50 (# 274:10 Unique 2.84, 2.87 A)
&rst
ixpk= 274, nxpk= 10, iat= 772, 770, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 50 LYS HB- 50 LYS HN 2.80 (# 275:10 Unique 2.23, 2.65 A)
&rst
ixpk= 275, nxpk= 10, iat= -1, 770, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 774, 775,
&end
#
# 50 LYS HB+ 50 LYS HN 3.50 (# 276:10 Unique 2.23, 2.65 A)
&rst
ixpk= 276, nxpk= 10, iat= -1, 770, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 774, 775,
&end
#
# 50 LYS HG- 50 LYS HN 4.50 (# 277:10 Unique 2.26, 4.01 A)
&rst
ixpk= 277, nxpk= 10, iat= -1, 770, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 777, 778,
&end
#
# 90 MET HG- 93 ARG HN 5.50 (# 278:10 Unique 2.84, 4.76 A)
&rst
ixpk= 278, nxpk= 10, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1384,1385,
&end
#
# 93 ARG HA 93 ARG HN 3.50 (# 279:10 Unique 2.85, 2.94 A)
&rst
ixpk= 279, nxpk= 10, iat=1417,1415, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 GLY HA- 93 ARG HN 4.50 (# 280:10 Unique 2.48, 3.28 A)
&rst
ixpk= 280, nxpk= 10, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1410,1411,
&end
#
# 92 GLY HA+ 93 ARG HN 4.50 (# 281:10 Unique 2.48, 3.28 A)
&rst
ixpk= 281, nxpk= 10, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1410,1411,
&end
#
# 0 AMB 10-2:282 93 ARG HN 4.50 (# 282:10 Single Ambig)
&rst
ixpk= 282, nxpk= 10, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1381,1382,1398,1399,
&end
#
# 93 ARG HB- 93 ARG HN 2.80 (# 283:10 Unique 2.16, 3.18 A)
&rst
ixpk= 283, nxpk= 10, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1419,1420,
&end
#
# 0 AMB 10-2:284 93 ARG HN 2.80 (# 284:10 Single Ambig)
&rst
ixpk= 284, nxpk= 10, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1422,1423,1422,1423,
&end
#
# 16 LEU HA 16 LEU HN 3.50 (# 285:10 Unique 2.74, 2.75 A)
&rst
ixpk= 285, nxpk= 10, iat= 214, 212, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 LEU HB- 16 LEU HN 2.80 (# 286:10 Unique 2.31, 2.45 A)
&rst
ixpk= 286, nxpk= 10, iat= -1, 212, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 216, 217,
&end
#
# 16 LEU HB+ 16 LEU HN 3.50 (# 287:10 Unique 2.31, 2.45 A)
&rst
ixpk= 287, nxpk= 10, iat= -1, 212, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 216, 217,
&end
#
# 14 ILE QG2 16 LEU HN 3.50 (# 288:10 Unique 3.10, 3.86 A)
&rst
ixpk= 288, nxpk= 10, iat= -1, 212, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 185, 186, 187,
&end
#
# 0 AMB 10-2:289 73 ILE HN 4.50 (# 289:10 Single Ambig)
&rst
ixpk= 289, nxpk= 10, iat= -1,1121, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1106,1107,1108,1077,1078,1079,
&end
#
# 45 ASN HA 46 LEU HN 4.50 (# 290:10 Unique 3.59, 3.60 A)
&rst
ixpk= 290, nxpk= 10, iat= 696, 708, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:291 46 LEU HN 3.50 (# 291:10 Single Ambig)
&rst
ixpk= 291, nxpk= 10, iat= -1, 708, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 664, 650,
&end
#
# 46 LEU HA 46 LEU HN 3.50 (# 292:10 Unique 2.83, 2.83 A)
&rst
ixpk= 292, nxpk= 10, iat= 710, 708, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 ASN HB- 46 LEU HN 4.50 (# 293:10 Unique 2.68, 3.17 A)
&rst
ixpk= 293, nxpk= 10, iat= -1, 708, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 698, 699,
&end
#
# 45 ASN HB+ 46 LEU HN 4.50 (# 294:10 Unique 2.68, 3.17 A)
&rst
ixpk= 294, nxpk= 10, iat= -1, 708, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 698, 699,
&end
#
# 0 AMB 10-2:295 46 LEU HN 2.80 (# 295:10 Single Ambig)
&rst
ixpk= 295, nxpk= 10, iat= -1, 708, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 712, 713, 715,
&end
#
# 46 LEU HB+ 46 LEU HN 3.50 (# 296:10 Unique 2.32, 2.97 A)
&rst
ixpk= 296, nxpk= 10, iat= -1, 708, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 712, 713,
&end
#
# 0 AMB 10-2:297 46 LEU HN 3.50 (# 297:10 Single Ambig)
&rst
ixpk= 297, nxpk= 10, iat= -1, 708, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 717, 718, 719, 721, 722, 723, 717, 718, 719, 721,
722, 723, 733, 734, 735, 737, 738, 739,
&end
#
# 15 THR HB 16 LEU HN 3.50 (# 298:10 Unique 2.34, 2.39 A)
&rst
ixpk= 298, nxpk= 10, iat= 202, 212, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:299 0 AMB 10-1:299 2.80 (# 299:10 Double Ambig)
&rst
ixpk= 299, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1705,1706,1707,1709,1710,1711,1689,1690,1691,1693,
1694,1695,1012,1013,1014,1016,1017,1018, 962, 963,
964, 966, 967, 968, 962, 963, 964, 966, 967, 968,
igr2=1699, 280, 972,
&end
#
# 108 PHE HA 111 VAL HN 4.50 (# 300:10 Unique 3.28, 3.42 A)
&rst
ixpk= 300, nxpk= 10, iat=1653,1699, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:301 111 VAL HN 3.50 (# 301:10 Single Ambig)
&rst
ixpk= 301, nxpk= 10, iat= -1,1699, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1701,1685,
&end
#
# 111 VAL HB 111 VAL HN 2.80 (# 302:10 Unique 2.05, 2.23 A)
&rst
ixpk= 302, nxpk= 10, iat=1703,1699, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 57 THR HA 58 GLN HN 2.80 (# 305:10 Unique 2.47, 2.49 A)
&rst
ixpk= 305, nxpk= 10, iat= 898, 910, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 57 THR HB 58 GLN HN 3.50 (# 306:10 Unique 2.12, 2.16 A)
&rst
ixpk= 306, nxpk= 10, iat= 900, 910, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 58 GLN HA 58 GLN HN 3.50 (# 307:10 Unique 2.83, 2.85 A)
&rst
ixpk= 307, nxpk= 10, iat= 912, 910, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 58 GLN HG- 58 GLN HN 4.50 (# 308:10 Unique 2.38, 4.22 A)
&rst
ixpk= 308, nxpk= 10, iat= -1, 910, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 917, 918,
&end
#
# 58 GLN HB- 58 GLN HN 3.50 (# 309:10 Unique 2.35, 2.58 A)
&rst
ixpk= 309, nxpk= 10, iat= -1, 910, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 914, 915,
&end
#
# 58 GLN HB+ 58 GLN HN 3.50 (# 310:10 Unique 2.35, 2.58 A)
&rst
ixpk= 310, nxpk= 10, iat= -1, 910, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 914, 915,
&end
#
# 57 THR MG2 58 GLN HN 3.50 (# 311:10 Unique 3.99, 4.43 A)
&rst
ixpk= 311, nxpk= 10, iat= -1, 910, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 902, 903, 904,
&end
#
# 22 LEU MDX 22 LEU HN 4.50 (# 312:10 Unique 3.49, 4.58 A)
&rst
ixpk= 312, nxpk= 10, iat= -1, 314, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 21 TRP HB- 22 LEU HN 4.50 (# 313:10 Unique 2.87, 3.55 A)
&rst
ixpk= 313, nxpk= 10, iat= -1, 314, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 294, 295,
&end
#
# 82 LEU HA 0 AMB 10-1:314 3.50 (# 314:10 Single Ambig)
&rst
ixpk= 314, nxpk= 10, iat=1247, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1245,1320,
&end
#
# 81 ALA MB 82 LEU HN 2.80 (# 315:10 Unique 2.39, 3.29 A)
&rst
ixpk= 315, nxpk= 10, iat= -1,1245, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1239,1240,1241,
&end
#
# 82 LEU MDY 0 AMB 10-1:316 3.50 (# 316:10 Single Ambig)
&rst
ixpk= 316, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1254,1255,1256,1258,1259,1260,
igr2=1320,1245,
&end
#
# 22 LEU MDY 82 LEU HN 4.50 (# 317:10 Unique 3.27, 5.14 A)
&rst
ixpk= 317, nxpk= 10, iat= -1,1245, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 58 GLN HA 62 ASP HN 4.50 (# 318:10 Unique 3.91, 3.98 A)
&rst
ixpk= 318, nxpk= 10, iat= 912, 972, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 31 ARG HA 32 TRP HN 4.50 (# 320:10 Unique 2.18, 2.74 A)
&rst
ixpk= 320, nxpk= 10, iat= 444, 466, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 TRP HB- 32 TRP HN 3.50 (# 321:10 Unique 2.31, 3.32 A)
&rst
ixpk= 321, nxpk= 10, iat= -1, 466, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 470, 471,
&end
#
# 22 LEU HB- 22 LEU HN 3.50 (# 322:10 Unique 2.41, 3.05 A)
&rst
ixpk= 322, nxpk= 10, iat= -1, 314, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 318, 319,
&end
#
# 0 AMB 10-2:323 22 LEU HN 3.50 (# 323:10 Single Ambig)
&rst
ixpk= 323, nxpk= 10, iat= -1, 314, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 294, 295, 316,
&end
#
# 22 LEU HG 22 LEU HN 3.50 (# 324:10 Unique 2.57, 2.69 A)
&rst
ixpk= 324, nxpk= 10, iat= 321, 314, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 LEU HB+ 22 LEU HN 3.50 (# 325:10 Unique 2.41, 3.05 A)
&rst
ixpk= 325, nxpk= 10, iat= -1, 314, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 318, 319,
&end
#
# 19 LEU HA 22 LEU HN 4.50 (# 326:10 Unique 3.16, 3.27 A)
&rst
ixpk= 326, nxpk= 10, iat= 263, 314, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 83 LYS HA 86 LEU HN 4.50 (# 327:10 Unique 3.14, 3.36 A)
&rst
ixpk= 327, nxpk= 10, iat=1266,1320, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:328 0 AMB 10-1:328 3.50 (# 328:10 Double Ambig)
&rst
ixpk= 328, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1322,1216,
igr2=1320,1245,
&end
#
# 82 LEU MDX 0 AMB 10-1:329 3.50 (# 329:10 Single Ambig)
&rst
ixpk= 329, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1254,1255,1256,1258,1259,1260,
igr2=1320,1245,
&end
#
# 0 AMB 10-2:330 0 AMB 10-1:330 2.80 (# 330:10 Double Ambig)
&rst
ixpk= 330, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1249,1250,1305,1306,
igr2=1245,1320,
&end
#
# 0 AMB 10-2:332 62 ASP HN 2.80 (# 332:10 Single Ambig)
&rst
ixpk= 332, nxpk= 10, iat= -1, 972, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 974, 929,
&end
#
# 61 VAL HA 62 ASP HN 5.50 (# 333:10 Unique 3.60, 3.61 A)
&rst
ixpk= 333, nxpk= 10, iat= 958, 972, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 62 ASP HB- 62 ASP HN 3.50 (# 334:10 Unique 2.51, 2.53 A)
&rst
ixpk= 334, nxpk= 10, iat= -1, 972, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 976, 977,
&end
#
# 62 ASP HB+ 62 ASP HN 3.50 (# 335:10 Unique 2.51, 2.53 A)
&rst
ixpk= 335, nxpk= 10, iat= -1, 972, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 976, 977,
&end
#
# 61 VAL HB 62 ASP HN 3.50 (# 336:10 Unique 2.54, 2.58 A)
&rst
ixpk= 336, nxpk= 10, iat= 960, 972, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 25 ALA HA 26 VAL HN 4.50 (# 337:10 Unique 3.61, 3.62 A)
&rst
ixpk= 337, nxpk= 10, iat= 366, 374, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 30 ASP HA 32 TRP HN 5.50 (# 338:10 Unique 3.36, 4.49 A)
&rst
ixpk= 338, nxpk= 10, iat= 432, 466, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 TRP HA 32 TRP HN 3.50 (# 340:10 Unique 2.62, 2.83 A)
&rst
ixpk= 340, nxpk= 10, iat= 468, 466, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 TRP HB+ 32 TRP HN 3.50 (# 341:10 Unique 2.31, 3.32 A)
&rst
ixpk= 341, nxpk= 10, iat= -1, 466, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 470, 471,
&end
#
# 46 LEU HA 47 VAL HN 4.50 (# 342:10 Unique 3.57, 3.60 A)
&rst
ixpk= 342, nxpk= 10, iat= 710, 727, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 LEU HB+ 47 VAL HN 4.50 (# 343:10 Unique 2.83, 3.31 A)
&rst
ixpk= 343, nxpk= 10, iat= -1, 727, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 712, 713,
&end
#
# 44 PHE HA 47 VAL HN 5.50 (# 344:10 Unique 3.51, 3.60 A)
&rst
ixpk= 344, nxpk= 10, iat= 676, 727, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 VAL HA 47 VAL HN 3.50 (# 345:10 Unique 2.88, 2.90 A)
&rst
ixpk= 345, nxpk= 10, iat= 729, 727, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 86 LEU MDY 86 LEU HN 4.50 (# 346:10 Unique 2.24, 4.59 A)
&rst
ixpk= 346, nxpk= 10, iat= -1,1320, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1329,1330,1331,1333,1334,1335,
&end
#
# 86 LEU HB+ 86 LEU HN 3.50 (# 347:10 Unique 2.15, 3.04 A)
&rst
ixpk= 347, nxpk= 10, iat= -1,1320, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1324,1325,
&end
#
# 0 AMB 10-2:348 0 AMB 10-1:348 2.80 (# 348:10 Double Ambig)
&rst
ixpk= 348, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1249,1250,1327,
igr2=1245,1320,
&end
#
# 0 AMB 10-2:349 0 AMB 10-1:349 5.50 (# 349:10 Double Ambig)
&rst
ixpk= 349, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1310,1311,1312,1314,1315,1316,1551,1552,1553,1555,
1556,1557,1551,1552,1553,1555,1556,1557,
igr2=1245,1320,
&end
#
# 23 TYR HA 26 VAL HN 4.50 (# 350:10 Unique 3.11, 3.23 A)
&rst
ixpk= 350, nxpk= 10, iat= 335, 374, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 VAL HA 26 VAL HN 3.50 (# 351:10 Unique 2.80, 2.81 A)
&rst
ixpk= 351, nxpk= 10, iat= 376, 374, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 26 VAL HB 26 VAL HN 2.80 (# 352:10 Unique 2.48, 2.55 A)
&rst
ixpk= 352, nxpk= 10, iat= 378, 374, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 25 ALA MB 26 VAL HN 2.80 (# 353:10 Unique 2.49, 3.40 A)
&rst
ixpk= 353, nxpk= 10, iat= -1, 374, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 368, 369, 370,
&end
#
# 26 VAL MGX 26 VAL HN 2.80 (# 354:10 Unique 2.06, 3.79 A)
&rst
ixpk= 354, nxpk= 10, iat= -1, 374, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 26 VAL MGY 26 VAL HN 2.80 (# 355:10 Unique 2.06, 3.79 A)
&rst
ixpk= 355, nxpk= 10, iat= -1, 374, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 0 AMB 10-2:356 47 VAL HN 2.80 (# 356:10 Single Ambig)
&rst
ixpk= 356, nxpk= 10, iat= -1, 727, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 731, 712, 713,
&end
#
# 47 VAL MGX 47 VAL HN 2.80 (# 357:10 Unique 2.28, 3.88 A)
&rst
ixpk= 357, nxpk= 10, iat= -1, 727, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 733, 734, 735, 737, 738, 739,
&end
#
# 47 VAL MGY 47 VAL HN 3.50 (# 358:10 Unique 2.28, 3.88 A)
&rst
ixpk= 358, nxpk= 10, iat= -1, 727, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 733, 734, 735, 737, 738, 739,
&end
#
# 35 ASN HA 35 ASN HN 3.50 (# 360:10 Unique 2.91, 2.96 A)
&rst
ixpk= 360, nxpk= 10, iat= 531, 529, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 LEU HA 35 ASN HN 2.80 (# 361:10 Unique 2.20, 2.35 A)
&rst
ixpk= 361, nxpk= 10, iat= 512, 529, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 35 ASN HB- 35 ASN HN 3.50 (# 362:10 Unique 2.37, 3.06 A)
&rst
ixpk= 362, nxpk= 10, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 533, 534,
&end
#
# 81 ALA MB 35 ASN HN 3.50 (# 363:10 Unique 2.08, 3.99 A)
&rst
ixpk= 363, nxpk= 10, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1239,1240,1241,
&end
#
# 34 LEU HB- 35 ASN HN 4.50 (# 364:10 Unique 2.39, 3.33 A)
&rst
ixpk= 364, nxpk= 10, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 514, 515,
&end
#
# 34 LEU HG 35 ASN HN 5.50 (# 365:10 Unique 4.34, 4.63 A)
&rst
ixpk= 365, nxpk= 10, iat= 517, 529, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 LEU MDX 35 ASN HN 3.50 (# 366:10 Unique 2.39, 4.43 A)
&rst
ixpk= 366, nxpk= 10, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 519, 520, 521, 523, 524, 525,
&end
#
# 0 AMB 10-2:369 0 AMB 10-1:369 4.50 (# 369:10 Double Ambig)
&rst
ixpk= 369, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1673,1769,
igr2=1715,1785,
&end
#
# 112 ARG HA 0 AMB 10-1:371 2.80 (# 371:10 Single Ambig)
&rst
ixpk= 371, nxpk= 10, iat=1717, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1715,1785,
&end
#
# 111 VAL HA 112 ARG HN 4.50 (# 372:10 Unique 3.56, 3.58 A)
&rst
ixpk= 372, nxpk= 10, iat=1701,1715, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 111 VAL MGX 112 ARG HN 3.50 (# 374:10 Unique 2.95, 4.34 A)
&rst
ixpk= 374, nxpk= 10, iat= -1,1715, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1705,1706,1707,1709,1710,1711,
&end
#
# 109 ASP HA 110 VAL HN 5.50 (# 375:10 Unique 3.55, 3.56 A)
&rst
ixpk= 375, nxpk= 10, iat=1673,1683, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 107 PRO HA 110 VAL HN 5.50 (# 376:10 Unique 3.42, 3.53 A)
&rst
ixpk= 376, nxpk= 10, iat=1647,1683, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 110 VAL HA 110 VAL HN 3.50 (# 377:10 Unique 2.83, 2.84 A)
&rst
ixpk= 377, nxpk= 10, iat=1685,1683, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 109 ASP HB- 110 VAL HN 3.50 (# 378:10 Unique 2.47, 3.26 A)
&rst
ixpk= 378, nxpk= 10, iat= -1,1683, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1675,1676,
&end
#
# 110 VAL HB 110 VAL HN 2.80 (# 379:10 Unique 2.53, 2.58 A)
&rst
ixpk= 379, nxpk= 10, iat=1687,1683, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 110 VAL MGX 110 VAL HN 2.80 (# 380:10 Unique 1.93, 3.72 A)
&rst
ixpk= 380, nxpk= 10, iat= -1,1683, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1689,1690,1691,1693,1694,1695,
&end
#
# 0 AMB 10-2:381 117 VAL HN 2.80 (# 381:10 Single Ambig)
&rst
ixpk= 381, nxpk= 10, iat= -1,1785, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1780,1781,1771,1772,
&end
#
# 117 VAL HB 117 VAL HN 3.50 (# 382:10 Unique 2.32, 2.61 A)
&rst
ixpk= 382, nxpk= 10, iat=1789,1785, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 109 ASP HB+ 110 VAL HN 4.50 (# 385:10 Unique 2.47, 3.26 A)
&rst
ixpk= 385, nxpk= 10, iat= -1,1683, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1675,1676,
&end
#
# 59 ASP HB- 60 HIS HN 4.50 (# 386:10 Unique 2.55, 3.24 A)
&rst
ixpk= 386, nxpk= 10, iat= -1, 939, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 931, 932,
&end
#
# 59 ASP HB+ 60 HIS HN 4.50 (# 387:10 Unique 2.55, 3.24 A)
&rst
ixpk= 387, nxpk= 10, iat= -1, 939, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 931, 932,
&end
#
# 0 AMB 10-2:388 60 HIS HN 4.50 (# 388:10 Single Ambig)
&rst
ixpk= 388, nxpk= 10, iat= -1, 939, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1= 997, 998, 999, 962, 963, 964, 966, 967, 968, 962,
963, 964, 966, 967, 968, 221, 222, 223, 225, 226,
227,
&end
#
# 0 AMB 10-2:389 60 HIS HN 3.50 (# 389:10 Single Ambig)
&rst
ixpk= 389, nxpk= 10, iat= -1, 939, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 941, 929,
&end
#
# 60 HIS HB- 60 HIS HN 3.50 (# 390:10 Unique 2.49, 3.06 A)
&rst
ixpk= 390, nxpk= 10, iat= -1, 939, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 943, 944,
&end
#
# 60 HIS HB+ 60 HIS HN 4.50 (# 391:10 Unique 2.49, 3.06 A)
&rst
ixpk= 391, nxpk= 10, iat= -1, 939, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 943, 944,
&end
#
# 0 AMB 10-2:392 83 LYS HN 5.50 (# 392:10 Single Ambig)
&rst
ixpk= 392, nxpk= 10, iat= -1,1264, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1274,1275,1274,1275,
&end
#
# 83 LYS HA 83 LYS HN 3.50 (# 393:10 Unique 2.80, 2.81 A)
&rst
ixpk= 393, nxpk= 10, iat=1266,1264, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 CYS HA 83 LYS HN 5.50 (# 394:10 Unique 3.82, 3.93 A)
&rst
ixpk= 394, nxpk= 10, iat=1216,1264, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 LYS HB- 83 LYS HN 3.50 (# 395:10 Unique 2.08, 2.47 A)
&rst
ixpk= 395, nxpk= 10, iat= -1,1264, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1268,1269,
&end
#
# 0 AMB 10-2:396 83 LYS HN 2.80 (# 396:10 Single Ambig)
&rst
ixpk= 396, nxpk= 10, iat= -1,1264, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1268,1269,1249,1250,
&end
#
# 0 AMB 10-2:397 83 LYS HN 3.50 (# 397:10 Single Ambig)
&rst
ixpk= 397, nxpk= 10, iat= -1,1264, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1254,1255,1256,1258,1259,1260,1229,1230,1231,
&end
#
# 0 AMB 10-2:398 83 LYS HN 3.50 (# 398:10 Single Ambig)
&rst
ixpk= 398, nxpk= 10, iat= -1,1264, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1227,1247,
&end
#
# 82 LEU HB+ 83 LYS HN 4.50 (# 399:10 Unique 2.67, 3.31 A)
&rst
ixpk= 399, nxpk= 10, iat= -1,1264, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1249,1250,
&end
#
# 0 AMB 10-2:400 83 LYS HN 5.50 (# 400:10 Single Ambig)
&rst
ixpk= 400, nxpk= 10, iat= -1,1264, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 733, 734, 735, 737, 738, 739, 747, 748, 749,
&end
#
# 41 LEU HA 45 ASN HN 5.50 (# 401:10 Unique 3.83, 4.00 A)
&rst
ixpk= 401, nxpk= 10, iat= 631, 694, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 ASN HB+ 45 ASN HN 3.50 (# 402:10 Unique 2.43, 3.04 A)
&rst
ixpk= 402, nxpk= 10, iat= -1, 694, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 698, 699,
&end
#
# 45 ASN HA 45 ASN HN 3.50 (# 403:10 Unique 2.80, 2.81 A)
&rst
ixpk= 403, nxpk= 10, iat= 696, 694, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 44 PHE HA 45 ASN HN 4.50 (# 404:10 Unique 3.60, 3.61 A)
&rst
ixpk= 404, nxpk= 10, iat= 676, 694, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 PHE HB- 45 ASN HN 3.50 (# 405:10 Unique 2.41, 3.20 A)
&rst
ixpk= 405, nxpk= 10, iat= -1, 694, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 678, 679,
&end
#
# 45 ASN HB- 45 ASN HN 2.80 (# 406:10 Unique 2.43, 3.04 A)
&rst
ixpk= 406, nxpk= 10, iat= -1, 694, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 698, 699,
&end
#
# 0 AMB 10-2:407 45 ASN HN 5.50 (# 407:10 Single Ambig)
&rst
ixpk= 407, nxpk= 10, iat= -1, 694, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 712, 713, 881, 882,1218,1219,
&end
#
# 0 AMB 10-2:408 43 ASP HN 3.50 (# 408:10 Single Ambig)
&rst
ixpk= 408, nxpk= 10, iat= -1, 662, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 664, 650,
&end
#
# 0 AMB 10-2:409 43 ASP HN 2.80 (# 409:10 Single Ambig)
&rst
ixpk= 409, nxpk= 10, iat= -1, 662, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 666, 667, 652, 653,
&end
#
# 43 ASP HB+ 43 ASP HN 3.50 (# 410:10 Unique 2.27, 2.54 A)
&rst
ixpk= 410, nxpk= 10, iat= -1, 662, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 666, 667,
&end
#
# 40 THR HB 43 ASP HN 5.50 (# 411:10 Unique 2.01, 2.21 A)
&rst
ixpk= 411, nxpk= 10, iat= 619, 662, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:412 61 VAL HN 4.50 (# 412:10 Single Ambig)
&rst
ixpk= 412, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 941, 929,
&end
#
# 61 VAL HA 61 VAL HN 3.50 (# 413:10 Unique 2.80, 2.81 A)
&rst
ixpk= 413, nxpk= 10, iat= 958, 956, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 HIS HB+ 61 VAL HN 4.50 (# 414:10 Unique 2.52, 3.09 A)
&rst
ixpk= 414, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 943, 944,
&end
#
# 61 VAL HB 61 VAL HN 2.80 (# 415:10 Unique 2.21, 2.23 A)
&rst
ixpk= 415, nxpk= 10, iat= 960, 956, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:416 61 VAL HN 2.80 (# 416:10 Single Ambig)
&rst
ixpk= 416, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 58 GLN HA 61 VAL HN 4.50 (# 417:10 Unique 3.22, 3.39 A)
&rst
ixpk= 417, nxpk= 10, iat= 912, 956, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 116 GLY HA- 118 THR HN 5.50 (# 418:10 Unique 3.13, 5.22 A)
&rst
ixpk= 418, nxpk= 10, iat= -1,1801, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1780,1781,
&end
#
# 117 VAL MGX 118 THR HN 4.50 (# 419:10 Unique 2.21, 4.39 A)
&rst
ixpk= 419, nxpk= 10, iat= -1,1801, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1791,1792,1793,1795,1796,1797,
&end
#
# 60 HIS HB- 61 VAL HN 4.50 (# 420:10 Unique 2.52, 3.09 A)
&rst
ixpk= 420, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 943, 944,
&end
#
# 117 VAL HB 118 THR HN 5.50 (# 422:10 Unique 3.16, 4.05 A)
&rst
ixpk= 422, nxpk= 10, iat=1789,1801, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 118 THR HA 118 THR HN 4.50 (# 423:10 Unique 2.74, 2.87 A)
&rst
ixpk= 423, nxpk= 10, iat=1803,1801, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 103 ASP HA 104 GLU HN 5.50 (# 424:10 Unique 2.71, 3.07 A)
&rst
ixpk= 424, nxpk= 10, iat=1578,1588, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 102 GLU HA 104 GLU HN 5.50 (# 425:10 Unique 3.96, 4.11 A)
&rst
ixpk= 425, nxpk= 10, iat=1563,1588, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:426 104 GLU HN 2.80 (# 426:10 Single Ambig)
&rst
ixpk= 426, nxpk= 10, iat= -1,1588, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1592,1593,1595,1596,
&end
#
# 102 GLU HB- 104 GLU HN 5.50 (# 427:10 Unique 2.69, 3.47 A)
&rst
ixpk= 427, nxpk= 10, iat= -1,1588, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1565,1566,
&end
#
# 104 GLU HA 104 GLU HN 3.50 (# 428:10 Unique 2.83, 2.90 A)
&rst
ixpk= 428, nxpk= 10, iat=1590,1588, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:429 104 GLU HN 4.50 (# 429:10 Single Ambig)
&rst
ixpk= 429, nxpk= 10, iat= -1,1588, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1568,1569,1568,1569,
&end
#
# 104 GLU HB+ 104 GLU HN 4.50 (# 430:10 Unique 2.15, 3.01 A)
&rst
ixpk= 430, nxpk= 10, iat= -1,1588, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1592,1593,
&end
#
# 67 LEU MDY 67 LEU HN 4.50 (# 431:10 Unique 3.73, 4.54 A)
&rst
ixpk= 431, nxpk= 10, iat= -1,1043, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1052,1053,1054,1056,1057,1058,
&end
#
# 67 LEU HB+ 67 LEU HN 4.50 (# 432:10 Unique 2.44, 3.05 A)
&rst
ixpk= 432, nxpk= 10, iat= -1,1043, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1047,1048,
&end
#
# 90 MET HA 91 ASN HN 4.50 (# 433:10 Unique 2.31, 3.01 A)
&rst
ixpk= 433, nxpk= 10, iat=1379,1394, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:434 91 ASN HN 2.80 (# 434:10 Single Ambig)
&rst
ixpk= 434, nxpk= 10, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1396,1372,1373,
&end
#
# 0 AMB 10-2:435 91 ASN HN 4.50 (# 435:10 Single Ambig)
&rst
ixpk= 435, nxpk= 10, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1398,1399,1381,1382,
&end
#
# 0 AMB 10-2:436 67 LEU HN 5.50 (# 436:10 Single Ambig)
&rst
ixpk= 436, nxpk= 10, iat= -1,1043, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1005,1024,1025,
&end
#
# 0 AMB 10-2:437 67 LEU HN 3.50 (# 437:10 Single Ambig)
&rst
ixpk= 437, nxpk= 10, iat= -1,1043, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1045,1024,1025,
&end
#
# 66 PRO HD- 67 LEU HN 5.50 (# 438:10 Unique 2.86, 3.58 A)
&rst
ixpk= 438, nxpk= 10, iat= -1,1043, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1030,1031,
&end
#
# 66 PRO HB- 67 LEU HN 5.50 (# 439:10 Unique 2.62, 3.61 A)
&rst
ixpk= 439, nxpk= 10, iat= -1,1043, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1036,1037,
&end
#
# 66 PRO HB+ 67 LEU HN 4.50 (# 440:10 Unique 2.62, 3.61 A)
&rst
ixpk= 440, nxpk= 10, iat= -1,1043, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1036,1037,
&end
#
# 67 LEU HB- 67 LEU HN 3.50 (# 441:10 Unique 2.44, 3.05 A)
&rst
ixpk= 441, nxpk= 10, iat= -1,1043, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1047,1048,
&end
#
# 0 AMB 10-2:442 67 LEU HN 3.50 (# 442:10 Single Ambig)
&rst
ixpk= 442, nxpk= 10, iat= -1,1043, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1052,1053,1054,1056,1057,1058,1705,1706,1707,1709,
1710,1711,1012,1013,1014,1016,1017,1018,
&end
#
# 67 LEU HG 67 LEU HN 4.50 (# 443:10 Unique 2.45, 2.51 A)
&rst
ixpk= 443, nxpk= 10, iat=1050,1043, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 MET HA 79 CYS HN 5.50 (# 444:10 Unique 3.55, 3.57 A)
&rst
ixpk= 444, nxpk= 10, iat=1199,1214, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 79 CYS HA 79 CYS HN 3.50 (# 445:10 Unique 2.83, 2.84 A)
&rst
ixpk= 445, nxpk= 10, iat=1216,1214, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 CYS HB+ 79 CYS HN 3.50 (# 446:10 Unique 2.37, 3.01 A)
&rst
ixpk= 446, nxpk= 10, iat= -1,1214, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1218,1219,
&end
#
# 0 AMB 10-2:447 79 CYS HN 5.50 (# 447:10 Single Ambig)
&rst
ixpk= 447, nxpk= 10, iat= -1,1214, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1=1175,1176,1177,1179,1180,1181,1252,
&end
#
# 0 AMB 10-2:449 79 CYS HN 5.50 (# 449:10 Single Ambig)
&rst
ixpk= 449, nxpk= 10, iat= -1,1214, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 607, 608, 609, 593, 594, 595,
&end
#
# 76 LEU HA 79 CYS HN 3.50 (# 450:10 Unique 3.22, 3.36 A)
&rst
ixpk= 450, nxpk= 10, iat=1168,1214, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 CYS HB- 79 CYS HN 3.50 (# 451:10 Unique 2.37, 3.01 A)
&rst
ixpk= 451, nxpk= 10, iat= -1,1214, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1218,1219,
&end
#
# 78 MET HB- 79 CYS HN 4.50 (# 452:10 Unique 2.69, 3.40 A)
&rst
ixpk= 452, nxpk= 10, iat= -1,1214, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1201,1202,
&end
#
# 78 MET HB+ 79 CYS HN 4.50 (# 453:10 Unique 2.69, 3.40 A)
&rst
ixpk= 453, nxpk= 10, iat= -1,1214, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1201,1202,
&end
#
# 0 AMB 10-2:454 79 CYS HN 4.50 (# 454:10 Single Ambig)
&rst
ixpk= 454, nxpk= 10, iat= -1,1214, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1229,1230,1231,1144,1145,1146,
&end
#
# 0 AMB 10-2:455 79 CYS HN 4.50 (# 455:10 Single Ambig)
&rst
ixpk= 455, nxpk= 10, iat= -1,1214, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
&end
#
# 0 AMB 10-2:457 23 TYR HN 3.50 (# 457:10 Single Ambig)
&rst
ixpk= 457, nxpk= 10, iat= -1, 333, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 335, 263,
&end
#
# 0 AMB 10-2:458 23 TYR HN 5.50 (# 458:10 Single Ambig)
&rst
ixpk= 458, nxpk= 10, iat= -1, 333, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 316, 294, 295,
&end
#
# 23 TYR HB- 23 TYR HN 3.50 (# 459:10 Unique 2.34, 3.00 A)
&rst
ixpk= 459, nxpk= 10, iat= -1, 333, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 337, 338,
&end
#
# 23 TYR HB+ 23 TYR HN 3.50 (# 460:10 Unique 2.34, 3.00 A)
&rst
ixpk= 460, nxpk= 10, iat= -1, 333, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 337, 338,
&end
#
# 22 LEU HB- 23 TYR HN 4.50 (# 461:10 Unique 2.56, 3.09 A)
&rst
ixpk= 461, nxpk= 10, iat= -1, 333, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 318, 319,
&end
#
# 22 LEU HB+ 23 TYR HN 4.50 (# 462:10 Unique 2.56, 3.09 A)
&rst
ixpk= 462, nxpk= 10, iat= -1, 333, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 318, 319,
&end
#
# 64 LEU MDX 23 TYR HN 4.50 (# 463:10 Unique 4.91, 6.50 A)
&rst
ixpk= 463, nxpk= 10, iat= -1, 333, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1012,1013,1014,1016,1017,1018,
&end
#
# 113 GLN HA 113 GLN HN 3.50 (# 464:10 Unique 2.77, 2.83 A)
&rst
ixpk= 464, nxpk= 10, iat=1741,1739, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 110 VAL HA 113 GLN HN 4.50 (# 465:10 Unique 3.07, 3.23 A)
&rst
ixpk= 465, nxpk= 10, iat=1685,1739, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 113 GLN HB- 113 GLN HN 2.80 (# 466:10 Unique 2.33, 3.03 A)
&rst
ixpk= 466, nxpk= 10, iat= -1,1739, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1743,1744,
&end
#
# 113 GLN HG- 113 GLN HN 3.50 (# 467:10 Unique 2.36, 3.06 A)
&rst
ixpk= 467, nxpk= 10, iat= -1,1739, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1746,1747,
&end
#
# 113 GLN HG+ 113 GLN HN 3.50 (# 468:10 Unique 2.36, 3.06 A)
&rst
ixpk= 468, nxpk= 10, iat= -1,1739, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1746,1747,
&end
#
# 0 AMB 10-2:469 23 TYR HN 4.50 (# 469:10 Single Ambig)
&rst
ixpk= 469, nxpk= 10, iat= -1, 333, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1052,1053,1054,1056,1057,1058, 380, 381, 382, 384,
385, 386,1012,1013,1014,1016,1017,1018,
&end
#
# 112 ARG HA 113 GLN HN 4.50 (# 470:10 Unique 3.53, 3.58 A)
&rst
ixpk= 470, nxpk= 10, iat=1717,1739, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 112 ARG HB- 113 GLN HN 3.50 (# 471:10 Unique 2.53, 3.38 A)
&rst
ixpk= 471, nxpk= 10, iat= -1,1739, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1719,1720,
&end
#
# 17 ASN HB- 17 ASN HN 3.50 (# 472:10 Unique 2.38, 2.95 A)
&rst
ixpk= 472, nxpk= 10, iat= -1, 231, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 235, 236,
&end
#
# 16 LEU HB- 17 ASN HN 4.50 (# 473:10 Unique 2.51, 3.23 A)
&rst
ixpk= 473, nxpk= 10, iat= -1, 231, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 216, 217,
&end
#
# 19 LEU HA 19 LEU HN 4.50 (# 474:10 Unique 2.86, 2.87 A)
&rst
ixpk= 474, nxpk= 10, iat= 263, 261, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 18 VAL HB 19 LEU HN 3.50 (# 475:10 Unique 2.63, 2.73 A)
&rst
ixpk= 475, nxpk= 10, iat= 249, 261, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 19 LEU HB- 19 LEU HN 3.50 (# 476:10 Unique 2.38, 3.01 A)
&rst
ixpk= 476, nxpk= 10, iat= -1, 261, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 265, 266,
&end
#
# 19 LEU HG 19 LEU HN 3.50 (# 477:10 Unique 2.29, 2.36 A)
&rst
ixpk= 477, nxpk= 10, iat= 268, 261, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:478 19 LEU HN 5.50 (# 478:10 Single Ambig)
&rst
ixpk= 478, nxpk= 10, iat= -1, 261, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 204, 205, 206, 318, 319,
&end
#
# 19 LEU HB+ 19 LEU HN 3.50 (# 479:10 Unique 2.38, 3.01 A)
&rst
ixpk= 479, nxpk= 10, iat= -1, 261, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 265, 266,
&end
#
# 0 AMB 10-2:480 19 LEU HN 3.50 (# 480:10 Single Ambig)
&rst
ixpk= 480, nxpk= 10, iat= -1, 261, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
&end
#
# 0 AMB 10-2:481 0 AMB 10-1:481 3.50 (# 481:10 Double Ambig)
&rst
ixpk= 481, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1502,1503,1064,
igr2=1523,1062,
&end
#
# 0 AMB 10-2:482 68 SER HN 2.80 (# 482:10 Single Ambig)
&rst
ixpk= 482, nxpk= 10, iat= -1,1062, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1066,1067,1045,
&end
#
# 0 AMB 10-2:483 68 SER HN 4.50 (# 483:10 Single Ambig)
&rst
ixpk= 483, nxpk= 10, iat= -1,1062, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1050,1077,1078,1079,1106,1107,1108,
&end
#
# 67 LEU HB+ 68 SER HN 4.50 (# 484:10 Unique 2.31, 2.91 A)
&rst
ixpk= 484, nxpk= 10, iat= -1,1062, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1047,1048,
&end
#
# 17 ASN HA 17 ASN HN 5.50 (# 486:10 Unique 2.90, 2.91 A)
&rst
ixpk= 486, nxpk= 10, iat= 233, 231, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 ILE QG2 17 ASN HN 2.80 (# 487:10 Unique 1.89, 3.04 A)
&rst
ixpk= 487, nxpk= 10, iat= -1, 231, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 185, 186, 187,
&end
#
# 66 PRO HA 68 SER HN 5.50 (# 489:10 Unique 4.83, 4.91 A)
&rst
ixpk= 489, nxpk= 10, iat=1039,1062, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:490 100 ILE HN 3.50 (# 490:10 Single Ambig)
&rst
ixpk= 490, nxpk= 10, iat= -1,1523, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1502,1503,1511,
&end
#
# 100 ILE HA 100 ILE HN 3.50 (# 491:10 Unique 2.88, 2.91 A)
&rst
ixpk= 491, nxpk= 10, iat=1525,1523, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:493 100 ILE HN 4.50 (# 493:10 Single Ambig)
&rst
ixpk= 493, nxpk= 10, iat= -1,1523, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1388,1389,1390,1384,1385,
&end
#
# 67 LEU HB- 68 SER HN 3.50 (# 494:10 Unique 2.31, 2.91 A)
&rst
ixpk= 494, nxpk= 10, iat= -1,1062, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1047,1048,
&end
#
# 100 ILE HG1+ 100 ILE HN 3.50 (# 495:10 Unique 2.48, 2.74 A)
&rst
ixpk= 495, nxpk= 10, iat= -1,1523, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1533,1534,
&end
#
# 100 ILE HG1- 100 ILE HN 3.50 (# 496:10 Unique 2.48, 2.74 A)
&rst
ixpk= 496, nxpk= 10, iat= -1,1523, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1533,1534,
&end
#
# 0 AMB 10-2:497 0 AMB 10-1:497 4.50 (# 497:10 Double Ambig)
&rst
ixpk= 497, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1536,1537,1538, 403, 404, 405,
igr2=1523,1062,
&end
#
# 64 LEU HA 64 LEU HN 3.50 (# 498:10 Unique 2.87, 2.89 A)
&rst
ixpk= 498, nxpk= 10, iat=1005,1003, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 63 ILE HB 64 LEU HN 4.50 (# 499:10 Unique 2.87, 2.97 A)
&rst
ixpk= 499, nxpk= 10, iat= 988,1003, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 64 LEU HB- 64 LEU HN 3.50 (# 500:10 Unique 2.43, 3.04 A)
&rst
ixpk= 500, nxpk= 10, iat= -1,1003, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1007,1008,
&end
#
# 64 LEU HG 64 LEU HN 3.50 (# 501:10 Unique 2.31, 2.40 A)
&rst
ixpk= 501, nxpk= 10, iat=1010,1003, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:502 64 LEU HN 3.50 (# 502:10 Single Ambig)
&rst
ixpk= 502, nxpk= 10, iat= -1,1003, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
igr1=1012,1013,1014,1016,1017,1018, 221, 222, 223, 225,
226, 227, 990, 991, 992,1156,1157,1158,1160,1161,
1162,
&end
#
# 56 LEU MDX 57 THR HN 5.50 (# 503:10 Unique 3.30, 4.19 A)
&rst
ixpk= 503, nxpk= 10, iat= -1, 896, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 75 VAL MGX 76 LEU HN 4.50 (# 504:10 Unique 3.78, 4.77 A)
&rst
ixpk= 504, nxpk= 10, iat= -1,1166, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1156,1157,1158,1160,1161,1162,
&end
#
# 76 LEU HA 76 LEU HN 3.50 (# 505:10 Unique 2.80, 2.84 A)
&rst
ixpk= 505, nxpk= 10, iat=1168,1166, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 75 VAL HB 76 LEU HN 3.50 (# 506:10 Unique 2.78, 2.91 A)
&rst
ixpk= 506, nxpk= 10, iat=1154,1166, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:507 76 LEU HN 2.80 (# 507:10 Single Ambig)
&rst
ixpk= 507, nxpk= 10, iat= -1,1166, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1173,1170,1171,
&end
#
# 74 ALA MB 76 LEU HN 3.50 (# 508:10 Unique 2.69, 3.59 A)
&rst
ixpk= 508, nxpk= 10, iat= -1,1166, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1144,1145,1146,
&end
#
# 76 LEU MDX 76 LEU HN 3.50 (# 509:10 Unique 1.85, 3.93 A)
&rst
ixpk= 509, nxpk= 10, iat= -1,1166, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1175,1176,1177,1179,1180,1181,
&end
#
# 0 AMB 10-2:510 76 LEU HN 4.50 (# 510:10 Single Ambig)
&rst
ixpk= 510, nxpk= 10, iat= -1,1166, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1156,1157,1158,1160,1161,1162, 962, 963, 964, 966,
967, 968,
&end
#
# 76 LEU MDY 76 LEU HN 3.50 (# 511:10 Unique 1.85, 3.93 A)
&rst
ixpk= 511, nxpk= 10, iat= -1,1166, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1175,1176,1177,1179,1180,1181,
&end
#
# 64 LEU HB+ 68 SER HN 3.50 (# 512:10 Unique 3.10, 3.72 A)
&rst
ixpk= 512, nxpk= 10, iat= -1,1062, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1007,1008,
&end
#
# 57 THR HB 59 ASP HN 2.80 (# 513:10 Unique 2.64, 2.67 A)
&rst
ixpk= 513, nxpk= 10, iat= 900, 927, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 59 ASP HA 59 ASP HN 3.50 (# 514:10 Unique 2.86, 2.87 A)
&rst
ixpk= 514, nxpk= 10, iat= 929, 927, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 58 GLN HA 59 ASP HN 5.50 (# 515:10 Unique 3.56, 3.59 A)
&rst
ixpk= 515, nxpk= 10, iat= 912, 927, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 59 ASP HB- 59 ASP HN 3.50 (# 516:10 Unique 2.43, 2.53 A)
&rst
ixpk= 516, nxpk= 10, iat= -1, 927, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 931, 932,
&end
#
# 0 AMB 10-2:517 59 ASP HN 4.50 (# 517:10 Single Ambig)
&rst
ixpk= 517, nxpk= 10, iat= -1, 927, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 917, 918, 960,
&end
#
# 59 ASP HB+ 59 ASP HN 3.50 (# 518:10 Unique 2.43, 2.53 A)
&rst
ixpk= 518, nxpk= 10, iat= -1, 927, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 931, 932,
&end
#
# 58 GLN HB+ 59 ASP HN 4.50 (# 519:10 Unique 2.92, 3.53 A)
&rst
ixpk= 519, nxpk= 10, iat= -1, 927, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 914, 915,
&end
#
# 57 THR MG2 59 ASP HN 5.50 (# 520:10 Unique 4.53, 4.87 A)
&rst
ixpk= 520, nxpk= 10, iat= -1, 927, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 902, 903, 904,
&end
#
# 0 AMB 10-2:521 64 LEU HN 5.50 (# 521:10 Single Ambig)
&rst
ixpk= 521, nxpk= 10, iat= -1,1003, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 986,1030,1031,
&end
#
# 64 LEU HB+ 64 LEU HN 4.50 (# 522:10 Unique 2.43, 3.04 A)
&rst
ixpk= 522, nxpk= 10, iat= -1,1003, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1007,1008,
&end
#
# 0 AMB 10-2:523 64 LEU HN 5.50 (# 523:10 Single Ambig)
&rst
ixpk= 523, nxpk= 10, iat= -1,1003, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1156,1157,1158,1160,1161,1162, 994, 995,
&end
#
# 58 GLN HB- 59 ASP HN 4.50 (# 525:10 Unique 2.92, 3.53 A)
&rst
ixpk= 525, nxpk= 10, iat= -1, 927, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 914, 915,
&end
#
# 56 LEU HG 57 THR HN 5.50 (# 526:10 Unique 1.89, 1.92 A)
&rst
ixpk= 526, nxpk= 10, iat= 884, 896, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 57 THR MG2 57 THR HN 3.50 (# 527:10 Unique 3.31, 4.04 A)
&rst
ixpk= 527, nxpk= 10, iat= -1, 896, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 902, 903, 904,
&end
#
# 56 LEU HA 57 THR HN 2.80 (# 528:10 Unique 2.49, 2.52 A)
&rst
ixpk= 528, nxpk= 10, iat= 879, 896, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 60 HIS HB- 57 THR HN 4.50 (# 529:10 Unique 1.94, 2.83 A)
&rst
ixpk= 529, nxpk= 10, iat= -1, 896, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 943, 944,
&end
#
# 60 HIS HB+ 57 THR HN 5.50 (# 530:10 Unique 1.94, 2.83 A)
&rst
ixpk= 530, nxpk= 10, iat= -1, 896, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 943, 944,
&end
#
# 56 LEU HB- 57 THR HN 4.50 (# 531:10 Unique 3.48, 3.83 A)
&rst
ixpk= 531, nxpk= 10, iat= -1, 896, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 881, 882,
&end
#
# 56 LEU HG 57 THR HN 5.50 (# 532:10 Unique 1.89, 1.92 A)
&rst
ixpk= 532, nxpk= 10, iat= 884, 896, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 94 THR HB 98 SER HN 4.50 (# 533:10 Unique 2.50, 3.02 A)
&rst
ixpk= 533, nxpk= 10, iat=1443,1498, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 57 THR HA 57 THR HN 5.50 (# 534:10 Unique 2.92, 2.93 A)
&rst
ixpk= 534, nxpk= 10, iat= 898, 896, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 98 SER HA 98 SER HN 3.50 (# 535:10 Unique 2.89, 2.95 A)
&rst
ixpk= 535, nxpk= 10, iat=1500,1498, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 98 SER HB- 98 SER HN 3.50 (# 536:10 Unique 2.40, 3.11 A)
&rst
ixpk= 536, nxpk= 10, iat= -1,1498, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1502,1503,
&end
#
# 98 SER HB+ 98 SER HN 3.50 (# 537:10 Unique 2.40, 3.11 A)
&rst
ixpk= 537, nxpk= 10, iat= -1,1498, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1502,1503,
&end
#
# 97 GLY HA+ 98 SER HN 5.50 (# 538:10 Unique 3.06, 3.34 A)
&rst
ixpk= 538, nxpk= 10, iat= -1,1498, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1493,1494,
&end
#
# 39 THR HA 39 THR HN 3.50 (# 539:10 Unique 2.83, 2.89 A)
&rst
ixpk= 539, nxpk= 10, iat= 603, 601, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 37 PHE HA 39 THR HN 5.50 (# 540:10 Unique 4.63, 5.30 A)
&rst
ixpk= 540, nxpk= 10, iat= 569, 601, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 38 THR HA 39 THR HN 2.80 (# 541:10 Unique 2.17, 2.28 A)
&rst
ixpk= 541, nxpk= 10, iat= 589, 601, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 39 THR HB 39 THR HN 3.50 (# 542:10 Unique 2.07, 2.32 A)
&rst
ixpk= 542, nxpk= 10, iat= 605, 601, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 76 LEU HB- 39 THR HN 3.50 (# 543:10 Unique 2.98, 4.07 A)
&rst
ixpk= 543, nxpk= 10, iat= -1, 601, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1170,1171,
&end
#
# 83 LYS HG- 39 THR HN 5.50 (# 544:10 Unique 7.71, 8.20 A)
&rst
ixpk= 544, nxpk= 10, iat= -1, 601, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1271,1272,
&end
#
# 39 THR MG2 39 THR HN 2.80 (# 545:10 Unique 2.14, 3.35 A)
&rst
ixpk= 545, nxpk= 10, iat= -1, 601, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 607, 608, 609,
&end
#
# 80 ALA MB 39 THR HN 3.50 (# 546:10 Unique 1.87, 3.15 A)
&rst
ixpk= 546, nxpk= 10, iat= -1, 601, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1229,1230,1231,
&end
#
# 70 GLN HG- 70 GLN HN 4.50 (# 547:10 Unique 2.52, 3.20 A)
&rst
ixpk= 547, nxpk= 10, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1090,1091,
&end
#
# 0 AMB 10-2:549 28 ASN HN 3.50 (# 549:10 Single Ambig)
&rst
ixpk= 549, nxpk= 10, iat= -1, 409, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 396, 397, 398, 400, 401,
&end
#
# 84 GLU HA 84 GLU HN 3.50 (# 550:10 Unique 2.85, 2.89 A)
&rst
ixpk= 550, nxpk= 10, iat=1288,1286, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 84 GLU HB- 84 GLU HN 2.80 (# 551:10 Unique 2.22, 3.04 A)
&rst
ixpk= 551, nxpk= 10, iat= -1,1286, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1290,1291,
&end
#
# 0 AMB 10-2:552 84 GLU HN 2.80 (# 552:10 Single Ambig)
&rst
ixpk= 552, nxpk= 10, iat= -1,1286, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1290,1291,1268,1269,
&end
#
# 81 ALA HA 84 GLU HN 5.50 (# 553:10 Unique 3.40, 3.48 A)
&rst
ixpk= 553, nxpk= 10, iat=1237,1286, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 84 GLU HG+ 84 GLU HN 3.50 (# 554:10 Unique 2.29, 3.15 A)
&rst
ixpk= 554, nxpk= 10, iat= -1,1286, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1293,1294,
&end
#
# 70 GLN HA 70 GLN HN 2.80 (# 555:10 Unique 2.82, 2.82 A)
&rst
ixpk= 555, nxpk= 10, iat=1085,1083, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 67 LEU HA 70 GLN HN 3.50 (# 556:10 Unique 3.18, 3.39 A)
&rst
ixpk= 556, nxpk= 10, iat=1045,1083, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:557 70 GLN HN 2.80 (# 557:10 Single Ambig)
&rst
ixpk= 557, nxpk= 10, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1087,1088,1090,1091,
&end
#
# 0 AMB 10-2:558 0 AMB 10-1:558 2.80 (# 558:10 Double Ambig)
&rst
ixpk= 558, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1087,1088, 394,
igr2=1083, 409,
&end
#
# 69 ALA MB 70 GLN HN 2.80 (# 559:10 Unique 2.53, 3.39 A)
&rst
ixpk= 559, nxpk= 10, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1077,1078,1079,
&end
#
# 0 AMB 10-2:560 0 AMB 10-1:560 5.50 (# 560:10 Double Ambig)
&rst
ixpk= 560, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 403, 404, 405,1052,1053,1054,1056,1057,1058,
igr2=1083, 409,
&end
#
# 28 ASN HA 28 ASN HN 3.50 (# 561:10 Unique 2.81, 2.83 A)
&rst
ixpk= 561, nxpk= 10, iat= 411, 409, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:562 70 GLN HN 5.50 (# 562:10 Single Ambig)
&rst
ixpk= 562, nxpk= 10, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1039,1102,
&end
#
# 25 ALA HA 28 ASN HN 4.50 (# 563:10 Unique 3.24, 3.39 A)
&rst
ixpk= 563, nxpk= 10, iat= 366, 409, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 28 ASN HB- 28 ASN HN 3.50 (# 564:10 Unique 2.25, 2.92 A)
&rst
ixpk= 564, nxpk= 10, iat= -1, 409, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 413, 414,
&end
#
# 28 ASN HB+ 28 ASN HN 3.50 (# 565:10 Unique 2.25, 2.92 A)
&rst
ixpk= 565, nxpk= 10, iat= -1, 409, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 413, 414,
&end
#
# 0 AMB 10-2:566 28 ASN HN 4.50 (# 566:10 Single Ambig)
&rst
ixpk= 566, nxpk= 10, iat= -1, 409, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 392, 425, 426,
&end
#
# 83 LYS HA 84 GLU HN 5.50 (# 567:10 Unique 3.61, 3.64 A)
&rst
ixpk= 567, nxpk= 10, iat=1266,1286, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 85 LEU MDX 84 GLU HN 4.50 (# 568:10 Unique 4.14, 6.23 A)
&rst
ixpk= 568, nxpk= 10, iat= -1,1286, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1310,1311,1312,1314,1315,1316,
&end
#
# 36 ARG HA 36 ARG HN 4.50 (# 569:10 Unique 2.82, 2.93 A)
&rst
ixpk= 569, nxpk= 10, iat= 545, 543, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 35 ASN HB- 36 ARG HN 4.50 (# 570:10 Unique 2.09, 3.17 A)
&rst
ixpk= 570, nxpk= 10, iat= -1, 543, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 533, 534,
&end
#
# 115 SER HA 115 SER HN 3.50 (# 572:10 Unique 2.21, 2.79 A)
&rst
ixpk= 572, nxpk= 10, iat=1769,1767, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 115 SER HB- 115 SER HN 3.50 (# 573:10 Unique 2.50, 3.28 A)
&rst
ixpk= 573, nxpk= 10, iat= -1,1767, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1771,1772,
&end
#
# 0 AMB 10-2:576 52 ASN HN 2.80 (# 576:10 Single Ambig)
&rst
ixpk= 576, nxpk= 10, iat= -1, 813, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 815, 794,
&end
#
# 49 MET HA 52 ASN HN 4.50 (# 577:10 Unique 3.51, 3.69 A)
&rst
ixpk= 577, nxpk= 10, iat= 755, 813, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 50 LYS HA 52 ASN HN 5.50 (# 578:10 Unique 3.61, 3.83 A)
&rst
ixpk= 578, nxpk= 10, iat= 772, 813, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 ASN HB- 52 ASN HN 4.50 (# 579:10 Unique 3.05, 3.42 A)
&rst
ixpk= 579, nxpk= 10, iat= -1, 813, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 817, 818,
&end
#
# 52 ASN HB+ 52 ASN HN 4.50 (# 580:10 Unique 3.05, 3.42 A)
&rst
ixpk= 580, nxpk= 10, iat= -1, 813, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 817, 818,
&end
#
# 51 TYR HB+ 51 TYR HN 3.50 (# 581:10 Unique 2.56, 3.16 A)
&rst
ixpk= 581, nxpk= 10, iat= -1, 792, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 796, 797,
&end
#
# 50 LYS HB- 51 TYR HN 4.50 (# 582:10 Unique 3.22, 3.80 A)
&rst
ixpk= 582, nxpk= 10, iat= -1, 792, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 774, 775,
&end
#
# 50 LYS HB+ 51 TYR HN 4.50 (# 583:10 Unique 3.22, 3.80 A)
&rst
ixpk= 583, nxpk= 10, iat= -1, 792, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 774, 775,
&end
#
# 51 TYR HA 51 TYR HN 3.50 (# 584:10 Unique 2.97, 2.98 A)
&rst
ixpk= 584, nxpk= 10, iat= 794, 792, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 50 LYS HA 51 TYR HN 4.50 (# 585:10 Unique 3.40, 3.52 A)
&rst
ixpk= 585, nxpk= 10, iat= 772, 792, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 51 TYR HB- 51 TYR HN 3.50 (# 586:10 Unique 2.56, 3.16 A)
&rst
ixpk= 586, nxpk= 10, iat= -1, 792, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 796, 797,
&end
#
# 0 AMB 10-2:587 0 AMB 10-1:587 3.50 (# 587:10 Double Ambig)
&rst
ixpk= 587, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 61,1741,
igr2= 57,1756,
&end
#
# 0 AMB 10-2:588 114 CYS HN 5.50 (# 588:10 Single Ambig)
&rst
ixpk= 588, nxpk= 10, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1701,1685,
&end
#
# 114 CYS HA 114 CYS HN 3.50 (# 589:10 Unique 2.26, 2.81 A)
&rst
ixpk= 589, nxpk= 10, iat=1758,1756, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 114 CYS HB- 114 CYS HN 4.50 (# 590:10 Unique 2.28, 3.11 A)
&rst
ixpk= 590, nxpk= 10, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1760,1761,
&end
#
# 114 CYS HB+ 114 CYS HN 3.50 (# 591:10 Unique 2.28, 3.11 A)
&rst
ixpk= 591, nxpk= 10, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1760,1761,
&end
#
# 113 GLN HB- 114 CYS HN 4.50 (# 592:10 Unique 2.05, 3.41 A)
&rst
ixpk= 592, nxpk= 10, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1743,1744,
&end
#
# 3 GLN HA 4 THR HN 4.50 (# 593:10 Unique 2.20, 2.85 A)
&rst
ixpk= 593, nxpk= 10, iat= 42, 57, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 4 THR HB 4 THR HN 4.50 (# 594:10 Unique 2.57, 3.45 A)
&rst
ixpk= 594, nxpk= 10, iat= 61, 57, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 30 ASP HA 31 ARG HN 2.80 (# 595:10 Unique 2.16, 2.53 A)
&rst
ixpk= 595, nxpk= 10, iat= 432, 442, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 31 ARG HA 31 ARG HN 4.50 (# 596:10 Unique 2.83, 2.92 A)
&rst
ixpk= 596, nxpk= 10, iat= 444, 442, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 31 ARG HG- 31 ARG HN 4.50 (# 597:10 Unique 2.03, 3.91 A)
&rst
ixpk= 597, nxpk= 10, iat= -1, 442, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 449, 450,
&end
#
# 89 GLY HA- 90 MET HN 2.80 (# 601:10 Unique 2.17, 2.70 A)
&rst
ixpk= 601, nxpk= 10, iat= -1,1377, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1372,1373,
&end
#
# 90 MET HB- 90 MET HN 3.50 (# 602:10 Unique 2.02, 3.02 A)
&rst
ixpk= 602, nxpk= 10, iat= -1,1377, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1381,1382,
&end
#
# 90 MET HG- 90 MET HN 4.50 (# 603:10 Unique 1.80, 3.53 A)
&rst
ixpk= 603, nxpk= 10, iat= -1,1377, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1384,1385,
&end
#
# 89 GLY HA+ 90 MET HN 3.50 (# 604:10 Unique 2.17, 2.70 A)
&rst
ixpk= 604, nxpk= 10, iat= -1,1377, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1372,1373,
&end
#
# 90 MET HB+ 90 MET HN 3.50 (# 605:10 Unique 2.02, 3.02 A)
&rst
ixpk= 605, nxpk= 10, iat= -1,1377, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1381,1382,
&end
#
# 0 AMB 10-2:606 0 AMB 10-1:606 2.80 (# 606:10 Double Ambig)
&rst
ixpk= 606, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1379, 650,
igr2=1377, 648,
&end
#
# 42 ASN HB- 42 ASN HN 2.80 (# 607:10 Unique 2.47, 2.63 A)
&rst
ixpk= 607, nxpk= 10, iat= -1, 648, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 652, 653,
&end
#
# 41 LEU HB- 42 ASN HN 3.50 (# 608:10 Unique 2.75, 3.05 A)
&rst
ixpk= 608, nxpk= 10, iat= -1, 648, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 633, 634,
&end
#
# 40 THR MG2 42 ASN HN 5.50 (# 609:10 Unique 3.20, 4.11 A)
&rst
ixpk= 609, nxpk= 10, iat= -1, 648, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 621, 622, 623,
&end
#
# 11 ASP HA 12 THR HN 3.50 (# 610:10 Unique 2.57, 3.33 A)
&rst
ixpk= 610, nxpk= 10, iat= 141, 151, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 THR HA 12 THR HN 3.50 (# 611:10 Unique 2.71, 2.81 A)
&rst
ixpk= 611, nxpk= 10, iat= 153, 151, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 THR HB 12 THR HN 3.50 (# 612:10 Unique 2.91, 3.29 A)
&rst
ixpk= 612, nxpk= 10, iat= 155, 151, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 11 ASP HB- 12 THR HN 4.50 (# 613:10 Unique 2.47, 3.71 A)
&rst
ixpk= 613, nxpk= 10, iat= -1, 151, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 143, 144,
&end
#
# 12 THR MG2 12 THR HN 3.50 (# 614:10 Unique 2.95, 3.97 A)
&rst
ixpk= 614, nxpk= 10, iat= -1, 151, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 157, 158, 159,
&end
#
# 40 THR HB 42 ASN HN 2.80 (# 616:10 Unique 2.67, 2.82 A)
&rst
ixpk= 616, nxpk= 10, iat= 619, 648, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 84 GLU HA 88 ASN HD2+ 5.50 (# 617:10 Unique 2.58, 3.56 A)
&rst
ixpk= 617, nxpk= 10, iat=1288, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1365,1366,
&end
#
# 88 ASN HB- 88 ASN HD2- 3.50 (# 618:10 Unique 2.29, 3.43 A)
&rst
ixpk= 618, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1360,1361,
igr2=1365,1366,
&end
#
# 88 ASN HB- 88 ASN HD2+ 2.80 (# 619:10 Unique 2.29, 3.43 A)
&rst
ixpk= 619, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1360,1361,
igr2=1365,1366,
&end
#
# 84 GLU HB- 88 ASN HD2+ 5.50 (# 623:10 Unique 2.36, 3.70 A)
&rst
ixpk= 623, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1290,1291,
igr2=1365,1366,
&end
#
# 98 SER HA 99 THR HN 2.80 (# 626:10 Unique 2.16, 2.27 A)
&rst
ixpk= 626, nxpk= 10, iat=1500,1509, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:627 99 THR HN 2.80 (# 627:10 Single Ambig)
&rst
ixpk= 627, nxpk= 10, iat= -1,1509, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1502,1503,1511,
&end
#
# 99 THR MG2 99 THR HN 3.50 (# 628:10 Unique 2.51, 3.52 A)
&rst
ixpk= 628, nxpk= 10, iat= -1,1509, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1515,1516,1517,
&end
#
# 0 AMB 10-2:629 108 PHE HN 5.50 (# 629:10 Single Ambig)
&rst
ixpk= 629, nxpk= 10, iat= -1,1651, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1647,1625,
&end
#
# 107 PRO HD- 108 PHE HN 4.50 (# 630:10 Unique 2.80, 3.52 A)
&rst
ixpk= 630, nxpk= 10, iat= -1,1651, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1638,1639,
&end
#
# 0 AMB 10-2:631 108 PHE HN 5.50 (# 631:10 Single Ambig)
&rst
ixpk= 631, nxpk= 10, iat= -1,1651, r1= 0.00, r2= 1.80, r3= 9.14, r4= 9.89,
igr1= 990, 991, 992,1705,1706,1707,1709,1710,1711,1689,
1690,1691,1693,1694,1695, 221, 222, 223, 225, 226,
227,
&end
#
# 108 PHE HA 108 PHE HN 3.50 (# 632:10 Unique 2.74, 2.77 A)
&rst
ixpk= 632, nxpk= 10, iat=1653,1651, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 108 PHE HB- 108 PHE HN 3.50 (# 633:10 Unique 2.25, 2.84 A)
&rst
ixpk= 633, nxpk= 10, iat= -1,1651, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1655,1656,
&end
#
# 108 PHE HB+ 108 PHE HN 3.50 (# 634:10 Unique 2.25, 2.84 A)
&rst
ixpk= 634, nxpk= 10, iat= -1,1651, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1655,1656,
&end
#
# 107 PRO HB+ 108 PHE HN 3.50 (# 635:10 Unique 2.39, 3.17 A)
&rst
ixpk= 635, nxpk= 10, iat= -1,1651, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1644,1645,
&end
#
# 98 SER HB+ 99 THR HN 4.50 (# 637:10 Unique 2.64, 3.36 A)
&rst
ixpk= 637, nxpk= 10, iat= -1,1509, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1502,1503,
&end
#
# 0 AMB 10-2:638 0 AMB 10-1:638 2.80 (# 638:10 Double Ambig)
&rst
ixpk= 638, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 917, 918, 960,
igr2= 922, 923, 922, 923,
&end
#
# 0 AMB 10-2:639 0 AMB 10-1:639 3.50 (# 639:10 Double Ambig)
&rst
ixpk= 639, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
igr2= 922, 923, 922, 923,
&end
#
# 0 AMB 10-2:641 58 GLN HE2- 3.50 (# 641:10 Single Ambig)
&rst
ixpk= 641, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 917, 918, 960,
igr2= 922, 923,
&end
#
# 0 AMB 10-2:642 58 GLN HE2- 3.50 (# 642:10 Single Ambig)
&rst
ixpk= 642, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
igr2= 922, 923,
&end
#
# 58 GLN HB- 58 GLN HE2+ 5.50 (# 643:10 Unique 2.49, 4.46 A)
&rst
ixpk= 643, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 914, 915,
igr2= 922, 923,
&end
#
# 48 ALA HA 49 MET HN 4.50 (# 644:10 Unique 3.60, 3.61 A)
&rst
ixpk= 644, nxpk= 10, iat= 745, 753, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 MET HB- 49 MET HN 2.80 (# 645:10 Unique 2.39, 3.02 A)
&rst
ixpk= 645, nxpk= 10, iat= -1, 753, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 757, 758,
&end
#
# 48 ALA MB 49 MET HN 2.80 (# 646:10 Unique 2.44, 3.35 A)
&rst
ixpk= 646, nxpk= 10, iat= -1, 753, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 747, 748, 749,
&end
#
# 88 ASN HA 88 ASN HN 3.50 (# 652:10 Unique 2.92, 2.98 A)
&rst
ixpk= 652, nxpk= 10, iat=1358,1356, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:653 88 ASN HN 3.50 (# 653:10 Single Ambig)
&rst
ixpk= 653, nxpk= 10, iat= -1,1356, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1288,1341,
&end
#
# 0 AMB 10-2:654 88 ASN HN 4.50 (# 654:10 Single Ambig)
&rst
ixpk= 654, nxpk= 10, iat= -1,1356, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1303,1372,1373,
&end
#
# 88 ASN HB- 88 ASN HN 2.80 (# 655:10 Unique 2.33, 3.21 A)
&rst
ixpk= 655, nxpk= 10, iat= -1,1356, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1360,1361,
&end
#
# 87 GLN HB- 88 ASN HN 3.50 (# 656:10 Unique 2.66, 3.40 A)
&rst
ixpk= 656, nxpk= 10, iat= -1,1356, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1343,1344,
&end
#
# 0 AMB 10-2:657 88 ASN HN 5.50 (# 657:10 Single Ambig)
&rst
ixpk= 657, nxpk= 10, iat= -1,1356, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1346,1347,1398,1399,
&end
#
# 0 AMB 10-2:658 88 ASN HN 5.50 (# 658:10 Single Ambig)
&rst
ixpk= 658, nxpk= 10, iat= -1,1356, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1346,1347,1293,1294,
&end
#
# 45 ASN HA 49 MET HN 5.50 (# 659:10 Unique 3.41, 3.49 A)
&rst
ixpk= 659, nxpk= 10, iat= 696, 753, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 49 MET HA 49 MET HN 3.50 (# 660:10 Unique 2.79, 2.81 A)
&rst
ixpk= 660, nxpk= 10, iat= 755, 753, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 49 MET HG- 49 MET HN 3.50 (# 661:10 Unique 2.23, 2.87 A)
&rst
ixpk= 661, nxpk= 10, iat= -1, 753, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 760, 761,
&end
#
# 46 LEU HA 49 MET HN 5.50 (# 662:10 Unique 3.85, 3.97 A)
&rst
ixpk= 662, nxpk= 10, iat= 710, 753, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 49 MET HG+ 49 MET HN 3.50 (# 663:10 Unique 2.23, 2.87 A)
&rst
ixpk= 663, nxpk= 10, iat= -1, 753, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 760, 761,
&end
#
# 28 ASN HB+ 28 ASN HD2+ 3.50 (# 665:10 Unique 2.37, 3.43 A)
&rst
ixpk= 665, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 413, 414,
igr2= 418, 419,
&end
#
# 28 ASN HB+ 28 ASN HD2- 5.50 (# 666:10 Unique 2.37, 3.43 A)
&rst
ixpk= 666, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 413, 414,
igr2= 418, 419,
&end
#
# 42 ASN HB- 42 ASN HD2+ 4.50 (# 668:10 Unique 2.57, 3.52 A)
&rst
ixpk= 668, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 652, 653,
igr2= 657, 658,
&end
#
# 0 AMB 10-2:669 42 ASN HD2- 5.50 (# 669:10 Single Ambig)
&rst
ixpk= 669, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 717, 718, 719, 721, 722, 723, 717, 718, 719, 721,
722, 723,
igr2= 657, 658,
&end
#
# 0 AMB 10-2:673 87 GLN HN 3.50 (# 673:10 Single Ambig)
&rst
ixpk= 673, nxpk= 10, iat= -1,1339, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1341,1288,
&end
#
# 87 GLN HG- 87 GLN HN 3.50 (# 674:10 Unique 2.34, 2.97 A)
&rst
ixpk= 674, nxpk= 10, iat= -1,1339, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1346,1347,
&end
#
# 87 GLN HG+ 87 GLN HN 3.50 (# 675:10 Unique 2.34, 2.97 A)
&rst
ixpk= 675, nxpk= 10, iat= -1,1339, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1346,1347,
&end
#
# 87 GLN HB- 87 GLN HN 2.80 (# 676:10 Unique 2.33, 3.00 A)
&rst
ixpk= 676, nxpk= 10, iat= -1,1339, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1343,1344,
&end
#
# 86 LEU HB- 87 GLN HN 3.50 (# 677:10 Unique 2.39, 3.02 A)
&rst
ixpk= 677, nxpk= 10, iat= -1,1339, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1324,1325,
&end
#
# 86 LEU HB+ 87 GLN HN 4.50 (# 678:10 Unique 2.39, 3.02 A)
&rst
ixpk= 678, nxpk= 10, iat= -1,1339, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1324,1325,
&end
#
# 86 LEU HA 87 GLN HN 5.50 (# 679:10 Unique 3.59, 3.61 A)
&rst
ixpk= 679, nxpk= 10, iat=1322,1339, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 91 ASN HB- 91 ASN HD2+ 4.50 (# 682:10 Unique 2.24, 3.28 A)
&rst
ixpk= 682, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1398,1399,
igr2=1403,1404,
&end
#
# 91 ASN HB+ 91 ASN HD2+ 3.50 (# 683:10 Unique 2.24, 3.28 A)
&rst
ixpk= 683, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1398,1399,
igr2=1403,1404,
&end
#
# 91 ASN HB- 91 ASN HD2- 5.50 (# 684:10 Unique 2.24, 3.28 A)
&rst
ixpk= 684, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1398,1399,
igr2=1403,1404,
&end
#
# 91 ASN HB+ 91 ASN HD2- 5.50 (# 685:10 Unique 2.24, 3.28 A)
&rst
ixpk= 685, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1398,1399,
igr2=1403,1404,
&end
#
# 10 THR HA 10 THR HN 4.50 (# 687:10 Unique 2.25, 2.86 A)
&rst
ixpk= 687, nxpk= 10, iat= 127, 125, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 9 GLY HA- 10 THR HN 3.50 (# 688:10 Unique 2.27, 2.88 A)
&rst
ixpk= 688, nxpk= 10, iat= -1, 125, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 120, 121,
&end
#
# 0 AMB 10-2:689 10 THR HN 4.50 (# 689:10 Single Ambig)
&rst
ixpk= 689, nxpk= 10, iat= -1, 125, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 129, 110,
&end
#
# 81 ALA HA 35 ASN HD2+ 3.50 (# 690:10 Unique 2.25, 3.03 A)
&rst
ixpk= 690, nxpk= 10, iat=1237, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 538, 539,
&end
#
# 35 ASN HB- 35 ASN HD2+ 3.50 (# 691:10 Unique 2.21, 3.35 A)
&rst
ixpk= 691, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 533, 534,
igr2= 538, 539,
&end
#
# 84 GLU HG- 35 ASN HD2+ 4.50 (# 692:10 Unique 2.35, 3.57 A)
&rst
ixpk= 692, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1293,1294,
igr2= 538, 539,
&end
#
# 84 GLU HB- 35 ASN HD2+ 5.50 (# 693:10 Unique 3.15, 4.85 A)
&rst
ixpk= 693, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1290,1291,
igr2= 538, 539,
&end
#
# 52 ASN HB+ 52 ASN HD2- 3.50 (# 694:10 Unique 2.21, 3.25 A)
&rst
ixpk= 694, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 817, 818,
igr2= 822, 823,
&end
#
# 0 AMB 10-2:695 35 ASN HD2- 5.50 (# 695:10 Single Ambig)
&rst
ixpk= 695, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1290,1291,1268,1269,
igr2= 538, 539,
&end
#
# 52 ASN HB- 52 ASN HD2+ 5.50 (# 696:10 Unique 2.21, 3.25 A)
&rst
ixpk= 696, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 817, 818,
igr2= 822, 823,
&end
#
# 52 ASN HB+ 52 ASN HD2+ 5.50 (# 697:10 Unique 2.21, 3.25 A)
&rst
ixpk= 697, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 817, 818,
igr2= 822, 823,
&end
#
# 81 ALA HA 35 ASN HD2- 4.50 (# 698:10 Unique 2.25, 3.03 A)
&rst
ixpk= 698, nxpk= 10, iat=1237, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 538, 539,
&end
#
# 35 ASN HB- 35 ASN HD2- 4.50 (# 699:10 Unique 2.21, 3.35 A)
&rst
ixpk= 699, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 533, 534,
igr2= 538, 539,
&end
#
# 0 AMB 10-2:700 52 ASN HD2- 3.50 (# 700:10 Single Ambig)
&rst
ixpk= 700, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 815, 153,
igr2= 822, 823,
&end
#
# 52 ASN HB- 52 ASN HD2- 3.50 (# 701:10 Unique 2.21, 3.25 A)
&rst
ixpk= 701, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 817, 818,
igr2= 822, 823,
&end
#
# 0 AMB 10-2:702 0 AMB 10-1:702 5.50 (# 702:10 Double Ambig)
&rst
ixpk= 702, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 815, 153,
igr2= 822, 823, 822, 823,
&end
#
# 38 THR HA 38 THR HN 3.50 (# 710:10 Unique 2.91, 2.95 A)
&rst
ixpk= 710, nxpk= 10, iat= 589, 587, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:711 38 THR HN 4.50 (# 711:10 Single Ambig)
&rst
ixpk= 711, nxpk= 10, iat= -1, 587, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1229,1230,1231, 547, 548,
&end
#
# 37 PHE HB- 38 THR HN 3.50 (# 712:10 Unique 2.52, 3.39 A)
&rst
ixpk= 712, nxpk= 10, iat= -1, 587, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 571, 572,
&end
#
# 37 PHE HA 38 THR HN 2.80 (# 713:10 Unique 2.16, 2.31 A)
&rst
ixpk= 713, nxpk= 10, iat= 569, 587, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 38 THR HB 38 THR HN 3.50 (# 714:10 Unique 3.51, 3.53 A)
&rst
ixpk= 714, nxpk= 10, iat= 591, 587, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 37 PHE HB+ 38 THR HN 3.50 (# 715:10 Unique 2.52, 3.39 A)
&rst
ixpk= 715, nxpk= 10, iat= -1, 587, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 571, 572,
&end
#
# 38 THR MG2 38 THR HN 3.50 (# 716:10 Unique 2.81, 3.91 A)
&rst
ixpk= 716, nxpk= 10, iat= -1, 587, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 593, 594, 595,
&end
#
# 0 AMB 10-2:718 72 GLY HN 3.50 (# 718:10 Single Ambig)
&rst
ixpk= 718, nxpk= 10, iat= -1,1114, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1102,1104,
&end
#
# 72 GLY HA- 72 GLY HN 2.80 (# 719:10 Unique 2.27, 2.61 A)
&rst
ixpk= 719, nxpk= 10, iat= -1,1114, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1116,1117,
&end
#
# 72 GLY HA+ 72 GLY HN 2.80 (# 720:10 Unique 2.27, 2.61 A)
&rst
ixpk= 720, nxpk= 10, iat= -1,1114, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1116,1117,
&end
#
# 39 THR HA 40 THR HN 2.80 (# 721:10 Unique 2.32, 2.39 A)
&rst
ixpk= 721, nxpk= 10, iat= 603, 615, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 40 THR HB 40 THR HN 3.50 (# 722:10 Unique 3.00, 3.12 A)
&rst
ixpk= 722, nxpk= 10, iat= 619, 615, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 43 ASP HB- 40 THR HN 3.50 (# 724:10 Unique 2.58, 3.59 A)
&rst
ixpk= 724, nxpk= 10, iat= -1, 615, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 666, 667,
&end
#
# 43 ASP HB+ 40 THR HN 3.50 (# 725:10 Unique 2.58, 3.59 A)
&rst
ixpk= 725, nxpk= 10, iat= -1, 615, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 666, 667,
&end
#
# 40 THR MG2 40 THR HN 3.50 (# 726:10 Unique 3.68, 4.23 A)
&rst
ixpk= 726, nxpk= 10, iat= -1, 615, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 621, 622, 623,
&end
#
# 39 THR MG2 40 THR HN 3.50 (# 727:10 Unique 3.37, 4.31 A)
&rst
ixpk= 727, nxpk= 10, iat= -1, 615, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 607, 608, 609,
&end
#
# 47 VAL MGY 87 GLN HE2+ 5.50 (# 728:10 Unique 3.17, 5.93 A)
&rst
ixpk= 728, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 733, 734, 735, 737, 738, 739,
igr2=1351,1352,
&end
#
# 87 GLN HB- 87 GLN HE2- 5.50 (# 729:10 Unique 2.17, 3.58 A)
&rst
ixpk= 729, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1343,1344,
igr2=1351,1352,
&end
#
# 105 PHE HA 106 THR HN 2.80 (# 730:10 Unique 2.22, 2.23 A)
&rst
ixpk= 730, nxpk= 10, iat=1605,1623, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 109 ASP HB- 106 THR HN 3.50 (# 731:10 Unique 2.80, 3.27 A)
&rst
ixpk= 731, nxpk= 10, iat= -1,1623, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1675,1676,
&end
#
# 105 PHE HB+ 106 THR HN 3.50 (# 732:10 Unique 3.68, 4.04 A)
&rst
ixpk= 732, nxpk= 10, iat= -1,1623, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1607,1608,
&end
#
# 109 ASP HB+ 106 THR HN 3.50 (# 733:10 Unique 2.80, 3.27 A)
&rst
ixpk= 733, nxpk= 10, iat= -1,1623, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1675,1676,
&end
#
# 106 THR MG2 106 THR HN 2.80 (# 734:10 Unique 2.88, 3.65 A)
&rst
ixpk= 734, nxpk= 10, iat= -1,1623, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1629,1630,1631,
&end
#
# 39 THR HB 40 THR HN 4.50 (# 735:10 Unique 3.89, 4.26 A)
&rst
ixpk= 735, nxpk= 10, iat= 605, 615, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 87 GLN HG- 87 GLN HE2+ 5.50 (# 736:10 Unique 2.27, 3.48 A)
&rst
ixpk= 736, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1346,1347,
igr2=1351,1352,
&end
#
# 87 GLN HB- 87 GLN HE2+ 3.50 (# 737:10 Unique 2.17, 3.58 A)
&rst
ixpk= 737, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1343,1344,
igr2=1351,1352,
&end
#
# 84 GLU HA 87 GLN HE2+ 4.50 (# 738:10 Unique 2.26, 3.94 A)
&rst
ixpk= 738, nxpk= 10, iat=1288, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1351,1352,
&end
#
# 47 VAL MGX 87 GLN HE2+ 4.50 (# 739:10 Unique 3.17, 5.93 A)
&rst
ixpk= 739, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 733, 734, 735, 737, 738, 739,
igr2=1351,1352,
&end
#
# 83 LYS HE- 87 GLN HE2- 5.50 (# 740:10 Unique 2.59, 4.18 A)
&rst
ixpk= 740, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1277,1278,
igr2=1351,1352,
&end
#
# 47 VAL MGX 87 GLN HE2- 5.50 (# 741:10 Unique 3.17, 5.93 A)
&rst
ixpk= 741, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 733, 734, 735, 737, 738, 739,
igr2=1351,1352,
&end
#
# 115 SER HA 116 GLY HN 3.50 (# 744:10 Unique 2.30, 2.85 A)
&rst
ixpk= 744, nxpk= 10, iat=1769,1778, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:746 116 GLY HN 2.80 (# 746:10 Single Ambig)
&rst
ixpk= 746, nxpk= 10, iat= -1,1778, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1771,1772,1780,1781,
&end
#
# 113 GLN HG- 113 GLN HE2+ 3.50 (# 748:10 Unique 2.25, 3.28 A)
&rst
ixpk= 748, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1746,1747,
igr2=1751,1752,
&end
#
# 0 AMB 10-2:753 0 AMB 10-1:753 4.50 (# 753:10 Double Ambig)
&rst
ixpk= 753, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 870, 871, 881, 882,
igr2= 703, 704, 703, 704,
&end
#
# 45 ASN HB- 45 ASN HD2+ 4.50 (# 754:10 Unique 2.49, 3.17 A)
&rst
ixpk= 754, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 698, 699,
igr2= 703, 704,
&end
#
# 45 ASN HB+ 45 ASN HD2+ 4.50 (# 755:10 Unique 2.49, 3.17 A)
&rst
ixpk= 755, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 698, 699,
igr2= 703, 704,
&end
#
# 41 LEU MDX 45 ASN HD2+ 5.50 (# 756:10 Unique 2.96, 5.85 A)
&rst
ixpk= 756, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 703, 704,
&end
#
# 88 ASN HA 89 GLY HN 3.50 (# 757:10 Unique 3.35, 3.48 A)
&rst
ixpk= 757, nxpk= 10, iat=1358,1370, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 89 GLY HA- 89 GLY HN 2.80 (# 758:10 Unique 2.24, 2.60 A)
&rst
ixpk= 758, nxpk= 10, iat= -1,1370, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1372,1373,
&end
#
# 0 AMB 10-2:759 89 GLY HN 2.80 (# 759:10 Single Ambig)
&rst
ixpk= 759, nxpk= 10, iat= -1,1370, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1372,1373,1303,
&end
#
# 88 ASN HB- 89 GLY HN 3.50 (# 760:10 Unique 3.17, 3.93 A)
&rst
ixpk= 760, nxpk= 10, iat= -1,1370, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1360,1361,
&end
#
# 0 AMB 10-2:761 89 GLY HN 5.50 (# 761:10 Single Ambig)
&rst
ixpk= 761, nxpk= 10, iat= -1,1370, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1310,1311,1312,1314,1315,1316,1551,1552,1553,1555,
1556,1557,
&end
#
# 0 AMB 10-2:762 89 GLY HN 5.50 (# 762:10 Single Ambig)
&rst
ixpk= 762, nxpk= 10, iat= -1,1370, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1305,1306,1343,1344,
&end
#
# 42 ASN HA 45 ASN HD2- 4.50 (# 763:10 Unique 2.88, 3.54 A)
&rst
ixpk= 763, nxpk= 10, iat= 650, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 703, 704,
&end
#
# 0 AMB 10-2:764 45 ASN HD2- 4.50 (# 764:10 Single Ambig)
&rst
ixpk= 764, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 633, 634, 636,
igr2= 703, 704,
&end
#
# 41 LEU MDX 45 ASN HD2- 5.50 (# 765:10 Unique 2.96, 5.85 A)
&rst
ixpk= 765, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 703, 704,
&end
#
# 45 ASN HB- 45 ASN HD2- 3.50 (# 766:10 Unique 2.49, 3.17 A)
&rst
ixpk= 766, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 698, 699,
igr2= 703, 704,
&end
#
# 45 ASN HB+ 45 ASN HD2- 3.50 (# 767:10 Unique 2.49, 3.17 A)
&rst
ixpk= 767, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 698, 699,
igr2= 703, 704,
&end
#
# 41 LEU MDY 45 ASN HD2- 5.50 (# 768:10 Unique 2.96, 5.85 A)
&rst
ixpk= 768, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 703, 704,
&end
#
# 0 AMB 10-2:769 0 AMB 10-1:769 3.50 (# 769:10 Double Ambig)
&rst
ixpk= 769, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 633, 634, 636,
igr2= 703, 704, 703, 704,
&end
#
# 0 AMB 10-2:770 45 ASN HD2- 4.50 (# 770:10 Single Ambig)
&rst
ixpk= 770, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 870, 871, 881, 882,
igr2= 703, 704,
&end
#
# 0 AMB 10-2:774 0 AMB 10-1:774 3.50 (# 774:10 Double Ambig)
&rst
ixpk= 774, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1090,1091,1036,1037,
igr2=1095,1096,1095,1096,
&end
#
# 0 AMB 10-2:775 0 AMB 10-1:775 3.50 (# 775:10 Double Ambig)
&rst
ixpk= 775, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1087,1088,1090,1091,
igr2=1095,1096,1095,1096,
&end
#
# 70 GLN HB+ 70 GLN HE2+ 5.50 (# 776:10 Unique 2.29, 3.49 A)
&rst
ixpk= 776, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1087,1088,
igr2=1095,1096,
&end
#
# 0 AMB 10-2:777 0 AMB 10-1:777 3.50 (# 777:10 Double Ambig)
&rst
ixpk= 777, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.32, r4= 8.07,
igr1=1052,1053,1054,1056,1057,1058,1705,1706,1707,1709,
1710,1711, 400, 401,
igr2=1095,1096,1095,1096,1095,1096,
&end
#
# 0 AMB 10-2:778 0 AMB 10-1:778 4.50 (# 778:10 Double Ambig)
&rst
ixpk= 778, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1052,1053,1054,1056,1057,1058, 403, 404, 405,
igr2=1095,1096,1095,1096,
&end
#
# 0 AMB 10-2:779 70 GLN HE2- 4.50 (# 779:10 Single Ambig)
&rst
ixpk= 779, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1087,1088,1090,1091,
igr2=1095,1096,
&end
#
# 0 AMB 10-2:780 70 GLN HE2- 4.50 (# 780:10 Single Ambig)
&rst
ixpk= 780, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.84, r4= 8.59,
igr1=1052,1053,1054,1056,1057,1058,1705,1706,1707,1709,
1710,1711, 400, 401,
igr2=1095,1096,
&end
#
# 0 AMB 10-2:781 70 GLN HE2- 4.50 (# 781:10 Single Ambig)
&rst
ixpk= 781, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1052,1053,1054,1056,1057,1058, 403, 404, 405,
igr2=1095,1096,
&end
#
# 0 AMB 10-2:782 70 GLN HE2- 4.50 (# 782:10 Single Ambig)
&rst
ixpk= 782, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1090,1091,1036,1037,
igr2=1095,1096,
&end
#
# 0 AMB 10-2:783 9 GLY HN 5.50 (# 783:10 Single Ambig)
&rst
ixpk= 783, nxpk= 10, iat= -1, 118, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 112, 113, 114, 102, 103, 104,
&end
#
# 65 GLY HA- 65 GLY HN 2.80 (# 784:10 Unique 2.29, 2.47 A)
&rst
ixpk= 784, nxpk= 10, iat= -1,1022, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1024,1025,
&end
#
# 65 GLY HA+ 65 GLY HN 2.80 (# 785:10 Unique 2.29, 2.47 A)
&rst
ixpk= 785, nxpk= 10, iat= -1,1022, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1024,1025,
&end
#
# 0 AMB 10-2:786 65 GLY HN 2.80 (# 786:10 Single Ambig)
&rst
ixpk= 786, nxpk= 10, iat= -1,1022, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1030,1031, 986,
&end
#
# 66 PRO HD+ 65 GLY HN 3.50 (# 787:10 Unique 2.87, 3.27 A)
&rst
ixpk= 787, nxpk= 10, iat= -1,1022, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1030,1031,
&end
#
# 66 PRO HG- 65 GLY HN 5.50 (# 788:10 Unique 5.00, 5.37 A)
&rst
ixpk= 788, nxpk= 10, iat= -1,1022, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1033,1034,
&end
#
# 64 LEU HB- 65 GLY HN 3.50 (# 789:10 Unique 3.16, 3.70 A)
&rst
ixpk= 789, nxpk= 10, iat= -1,1022, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1007,1008,
&end
#
# 64 LEU HB+ 65 GLY HN 5.50 (# 790:10 Unique 3.16, 3.70 A)
&rst
ixpk= 790, nxpk= 10, iat= -1,1022, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1007,1008,
&end
#
# 0 AMB 10-2:791 65 GLY HN 3.50 (# 791:10 Single Ambig)
&rst
ixpk= 791, nxpk= 10, iat= -1,1022, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
igr1=1156,1157,1158,1160,1161,1162, 962, 963, 964, 966,
967, 968, 962, 963, 964, 966, 967, 968, 990, 991,
992,
&end
#
# 8 ALA HA 9 GLY HN 3.50 (# 793:10 Unique 2.12, 2.75 A)
&rst
ixpk= 793, nxpk= 10, iat= 110, 118, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 9 GLY HA- 9 GLY HN 3.50 (# 794:10 Unique 2.28, 2.72 A)
&rst
ixpk= 794, nxpk= 10, iat= -1, 118, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 120, 121,
&end
#
# 62 ASP HA 65 GLY HN 3.50 (# 795:10 Unique 3.19, 3.32 A)
&rst
ixpk= 795, nxpk= 10, iat= 974,1022, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:796 65 GLY HN 5.50 (# 796:10 Single Ambig)
&rst
ixpk= 796, nxpk= 10, iat= -1,1022, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1156,1157,1158,1160,1161,1162, 994, 995,
&end
#
# 73 ILE HA 74 ALA HN 2.80 (# 797:10 Unique 2.13, 2.20 A)
&rst
ixpk= 797, nxpk= 10, iat=1123,1140, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 74 ALA HA 74 ALA HN 3.50 (# 798:10 Unique 2.85, 2.88 A)
&rst
ixpk= 798, nxpk= 10, iat=1142,1140, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 77 ASP HB+ 74 ALA HN 5.50 (# 799:10 Unique 2.53, 3.43 A)
&rst
ixpk= 799, nxpk= 10, iat= -1,1140, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1189,1190,
&end
#
# 74 ALA MB 74 ALA HN 2.80 (# 800:10 Unique 2.45, 2.88 A)
&rst
ixpk= 800, nxpk= 10, iat= -1,1140, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1144,1145,1146,
&end
#
# 73 ILE HG1+ 74 ALA HN 5.50 (# 801:10 Unique 4.10, 4.67 A)
&rst
ixpk= 801, nxpk= 10, iat= -1,1140, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1131,1132,
&end
#
# 73 ILE QG2 74 ALA HN 3.50 (# 802:10 Unique 2.95, 4.04 A)
&rst
ixpk= 802, nxpk= 10, iat= -1,1140, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1127,1128,1129,
&end
#
# 73 ILE HG1- 74 ALA HN 5.50 (# 803:10 Unique 4.10, 4.67 A)
&rst
ixpk= 803, nxpk= 10, iat= -1,1140, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1131,1132,
&end
#
# 77 ASP HB- 74 ALA HN 5.50 (# 805:10 Unique 2.53, 3.43 A)
&rst
ixpk= 805, nxpk= 10, iat= -1,1140, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1189,1190,
&end
#
# 28 ASN HB- 29 GLY HN 5.50 (# 807:10 Unique 2.96, 3.38 A)
&rst
ixpk= 807, nxpk= 10, iat= -1, 423, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 413, 414,
&end
#
# 0 AMB 10-2:808 29 GLY HN 4.50 (# 808:10 Single Ambig)
&rst
ixpk= 808, nxpk= 10, iat= -1, 423, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
igr1= 396, 397, 398, 380, 381, 382, 384, 385, 386, 400,
401,
&end
#
# 28 ASN HA 29 GLY HN 3.50 (# 809:10 Unique 3.45, 3.52 A)
&rst
ixpk= 809, nxpk= 10, iat= 411, 423, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 GLY HA- 29 GLY HN 2.80 (# 810:10 Unique 2.37, 2.75 A)
&rst
ixpk= 810, nxpk= 10, iat= -1, 423, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 425, 426,
&end
#
# 29 GLY HA+ 29 GLY HN 2.80 (# 811:10 Unique 2.37, 2.75 A)
&rst
ixpk= 811, nxpk= 10, iat= -1, 423, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 425, 426,
&end
#
# 28 ASN HB+ 29 GLY HN 4.50 (# 812:10 Unique 2.96, 3.38 A)
&rst
ixpk= 812, nxpk= 10, iat= -1, 423, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 413, 414,
&end
#
# 94 THR HA 94 THR HN 3.50 (# 813:10 Unique 2.83, 2.91 A)
&rst
ixpk= 813, nxpk= 10, iat=1441,1439, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 ARG HA 94 THR HN 2.80 (# 814:10 Unique 2.15, 2.43 A)
&rst
ixpk= 814, nxpk= 10, iat=1417,1439, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 94 THR HB 94 THR HN 4.50 (# 815:10 Unique 3.45, 3.55 A)
&rst
ixpk= 815, nxpk= 10, iat=1443,1439, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 ARG HB- 94 THR HN 3.50 (# 816:10 Unique 2.10, 3.28 A)
&rst
ixpk= 816, nxpk= 10, iat= -1,1439, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1419,1420,
&end
#
# 93 ARG HB+ 94 THR HN 3.50 (# 817:10 Unique 2.10, 3.28 A)
&rst
ixpk= 817, nxpk= 10, iat= -1,1439, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1419,1420,
&end
#
# 94 THR MG2 94 THR HN 2.80 (# 818:10 Unique 2.46, 3.53 A)
&rst
ixpk= 818, nxpk= 10, iat= -1,1439, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1445,1446,1447,
&end
#
# 14 ILE QG2 17 ASN HD2+ 4.50 (# 819:10 Unique 2.92, 4.26 A)
&rst
ixpk= 819, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 185, 186, 187,
igr2= 240, 241,
&end
#
# 106 THR MG2 17 ASN HD2+ 4.50 (# 820:10 Unique 2.21, 3.83 A)
&rst
ixpk= 820, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1629,1630,1631,
igr2= 240, 241,
&end
#
# 14 ILE QG2 17 ASN HD2- 4.50 (# 821:10 Unique 2.92, 4.26 A)
&rst
ixpk= 821, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 185, 186, 187,
igr2= 240, 241,
&end
#
# 106 THR MG2 17 ASN HD2- 4.50 (# 822:10 Unique 2.21, 3.83 A)
&rst
ixpk= 822, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1629,1630,1631,
igr2= 240, 241,
&end
#
# 17 ASN HB- 17 ASN HD2+ 3.50 (# 823:10 Unique 2.17, 3.12 A)
&rst
ixpk= 823, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 235, 236,
igr2= 240, 241,
&end
#
# 14 ILE HB 17 ASN HD2+ 4.50 (# 824:10 Unique 3.08, 3.59 A)
&rst
ixpk= 824, nxpk= 10, iat= 183, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 240, 241,
&end
#
# 17 ASN HB- 17 ASN HD2- 5.50 (# 825:10 Unique 2.17, 3.12 A)
&rst
ixpk= 825, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 235, 236,
igr2= 240, 241,
&end
#
# 0 AMB 10-2:826 92 GLY HN 5.50 (# 826:10 Single Ambig)
&rst
ixpk= 826, nxpk= 10, iat= -1,1408, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1398,1399,1381,1382,
&end
#
# 90 MET HA 92 GLY HN 5.50 (# 827:10 Unique 3.16, 4.42 A)
&rst
ixpk= 827, nxpk= 10, iat=1379,1408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 91 ASN HA 92 GLY HN 3.50 (# 828:10 Unique 2.18, 2.97 A)
&rst
ixpk= 828, nxpk= 10, iat=1396,1408, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 GLY HA- 92 GLY HN 2.80 (# 829:10 Unique 2.26, 2.67 A)
&rst
ixpk= 829, nxpk= 10, iat= -1,1408, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1410,1411,
&end
#
# 92 GLY HA+ 92 GLY HN 2.80 (# 830:10 Unique 2.26, 2.67 A)
&rst
ixpk= 830, nxpk= 10, iat= -1,1408, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1410,1411,
&end
#
# 90 MET HG- 92 GLY HN 5.50 (# 831:10 Unique 2.85, 4.94 A)
&rst
ixpk= 831, nxpk= 10, iat= -1,1408, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1384,1385,
&end
#
# 97 GLY HA- 97 GLY HN 2.80 (# 834:10 Unique 2.27, 2.57 A)
&rst
ixpk= 834, nxpk= 10, iat= -1,1491, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1493,1494,
&end
#
# 96 LEU HA 97 GLY HN 2.80 (# 835:10 Unique 2.65, 2.79 A)
&rst
ixpk= 835, nxpk= 10, iat=1474,1491, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 97 GLY HA+ 97 GLY HN 2.80 (# 836:10 Unique 2.27, 2.57 A)
&rst
ixpk= 836, nxpk= 10, iat= -1,1491, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1493,1494,
&end
#
# 0 AMB 10-2:837 97 GLY HN 5.50 (# 837:10 Single Ambig)
&rst
ixpk= 837, nxpk= 10, iat= -1,1491, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1476,1477,1463,1464,
&end
#
# 94 THR MG2 97 GLY HN 5.50 (# 838:10 Unique 4.85, 5.64 A)
&rst
ixpk= 838, nxpk= 10, iat= -1,1491, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1445,1446,1447,
&end
#
# 0 AMB 10-2:839 97 GLY HN 5.50 (# 839:10 Single Ambig)
&rst
ixpk= 839, nxpk= 10, iat= -1,1491, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1481,1482,1483,1485,1486,1487,1463,1464,
&end
#
# 0 AMB 10-2:842 71 THR HN 4.50 (# 842:10 Single Ambig)
&rst
ixpk= 842, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1045,1066,1067,
&end
#
# 0 AMB 10-2:843 71 THR HN 2.80 (# 843:10 Single Ambig)
&rst
ixpk= 843, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1102,1104,
&end
#
# 69 ALA HA 71 THR HN 4.50 (# 844:10 Unique 4.07, 4.46 A)
&rst
ixpk= 844, nxpk= 10, iat=1075,1100, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 70 GLN HB- 71 THR HN 3.50 (# 845:10 Unique 2.63, 3.13 A)
&rst
ixpk= 845, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1087,1088,
&end
#
# 70 GLN HB+ 71 THR HN 3.50 (# 846:10 Unique 2.63, 3.13 A)
&rst
ixpk= 846, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1087,1088,
&end
#
# 71 THR MG2 71 THR HN 4.50 (# 847:10 Unique 2.56, 3.44 A)
&rst
ixpk= 847, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1106,1107,1108,
&end
#
# 0 AMB 10-2:848 71 THR HN 5.50 (# 848:10 Single Ambig)
&rst
ixpk= 848, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1= 400, 401,1052,1053,1054,1056,1057,1058, 380, 381,
382, 384, 385, 386,
&end
#
# 16 LEU HN 15 THR HN 4.50 (# 849:10 Unique 2.95, 2.97 A)
&rst
ixpk= 849, nxpk= 10, iat= 212, 198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 53 TYR HD 15 THR HN 5.50 (# 850:10 Unique 3.47, 5.38 A)
&rst
ixpk= 850, nxpk= 10, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 835, 844,
&end
#
# 54 GLU HN 15 THR HN 3.50 (# 851:10 Unique 2.78, 2.86 A)
&rst
ixpk= 851, nxpk= 10, iat= 848, 198, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 TRP HZ2 21 TRP HE1 3.50 (# 852:10 Unique 2.90, 2.92 A)
&rst
ixpk= 852, nxpk= 10, iat= 303, 300, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 TRP HH2 21 TRP HE1 5.50 (# 853:10 Unique 5.06, 5.10 A)
&rst
ixpk= 853, nxpk= 10, iat= 305, 300, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 TRP HD1 21 TRP HE1 2.80 (# 854:10 Unique 2.55, 2.56 A)
&rst
ixpk= 854, nxpk= 10, iat= 298, 300, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 32 TRP HD1 32 TRP HE1 2.80 (# 855:10 Unique 2.54, 2.56 A)
&rst
ixpk= 855, nxpk= 10, iat= 474, 476, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 32 TRP HZ2 32 TRP HE1 3.50 (# 856:10 Unique 2.88, 2.89 A)
&rst
ixpk= 856, nxpk= 10, iat= 479, 476, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 97 GLY HN 96 LEU HN 3.50 (# 857:10 Unique 2.58, 2.82 A)
&rst
ixpk= 857, nxpk= 10, iat=1491,1472, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 119 PHE HN 120 GLN HN 5.50 (# 858:10 Unique 2.08, 4.05 A)
&rst
ixpk= 858, nxpk= 10, iat=1815,1835, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 GLY HN 30 ASP HN 2.80 (# 859:10 Unique 1.89, 1.95 A)
&rst
ixpk= 859, nxpk= 10, iat= 423, 430, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 28 ASN HN 30 ASP HN 4.50 (# 860:10 Unique 3.92, 4.06 A)
&rst
ixpk= 860, nxpk= 10, iat= 409, 430, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:861 56 LEU HN 4.50 (# 861:10 Single Ambig)
&rst
ixpk= 861, nxpk= 10, iat= -1, 877, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 682, 690, 684, 688,
&end
#
# 45 ASN HD2+ 56 LEU HN 3.50 (# 862:10 Unique 2.50, 3.24 A)
&rst
ixpk= 862, nxpk= 10, iat= -1, 877, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 703, 704,
&end
#
# 60 HIS HE1 56 LEU HN 5.50 (# 863:10 Unique 5.14, 5.20 A)
&rst
ixpk= 863, nxpk= 10, iat= 949, 877, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 ASN HD2- 56 LEU HN 4.50 (# 864:10 Unique 2.50, 3.24 A)
&rst
ixpk= 864, nxpk= 10, iat= -1, 877, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 703, 704,
&end
#
# 79 CYS HN 78 MET HN 2.80 (# 865:10 Unique 2.63, 2.67 A)
&rst
ixpk= 865, nxpk= 10, iat=1214,1197, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 77 ASP HN 78 MET HN 2.80 (# 866:10 Unique 2.30, 2.37 A)
&rst
ixpk= 866, nxpk= 10, iat=1185,1197, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 26 VAL HN 27 ILE HN 3.50 (# 868:10 Unique 2.80, 2.86 A)
&rst
ixpk= 868, nxpk= 10, iat= 374, 390, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 42 ASN HN 41 LEU HN 3.50 (# 869:10 Unique 2.79, 2.87 A)
&rst
ixpk= 869, nxpk= 10, iat= 648, 629, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 SER HN 69 ALA HN 2.80 (# 870:10 Unique 2.88, 2.90 A)
&rst
ixpk= 870, nxpk= 10, iat=1062,1073, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 70 GLN HN 69 ALA HN 2.80 (# 871:10 Unique 2.70, 2.75 A)
&rst
ixpk= 871, nxpk= 10, iat=1083,1073, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:872 69 ALA HN 4.50 (# 872:10 Single Ambig)
&rst
ixpk= 872, nxpk= 10, iat= -1,1073, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1043,1100,
&end
#
# 26 VAL HN 25 ALA HN 2.80 (# 873:10 Unique 2.70, 2.76 A)
&rst
ixpk= 873, nxpk= 10, iat= 374, 364, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 64 LEU HN 63 ILE HN 3.50 (# 874:10 Unique 2.74, 2.78 A)
&rst
ixpk= 874, nxpk= 10, iat=1003, 984, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 THR HN 119 PHE HN 5.50 (# 878:10 Unique 2.76, 4.42 A)
&rst
ixpk= 878, nxpk= 10, iat=1801,1815, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 120 GLN HN 119 PHE HN 4.50 (# 879:10 Unique 2.08, 4.05 A)
&rst
ixpk= 879, nxpk= 10, iat=1835,1815, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 19 LEU HN 18 VAL HN 3.50 (# 880:10 Unique 2.56, 2.64 A)
&rst
ixpk= 880, nxpk= 10, iat= 261, 245, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 ASN HN 18 VAL HN 3.50 (# 881:10 Unique 2.45, 2.49 A)
&rst
ixpk= 881, nxpk= 10, iat= 231, 245, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 CYS HN 80 ALA HN 3.50 (# 883:10 Unique 2.76, 2.79 A)
&rst
ixpk= 883, nxpk= 10, iat=1214,1225, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 82 LEU HN 80 ALA HN 5.50 (# 885:10 Unique 4.32, 4.40 A)
&rst
ixpk= 885, nxpk= 10, iat=1245,1225, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 10 THR HN 11 ASP HN 4.50 (# 890:10 Unique 1.87, 4.03 A)
&rst
ixpk= 890, nxpk= 10, iat= 125, 139, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 12 THR HN 11 ASP HN 3.50 (# 891:10 Unique 1.78, 2.43 A)
&rst
ixpk= 891, nxpk= 10, iat= 151, 139, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:893 54 GLU HN 4.50 (# 893:10 Single Ambig)
&rst
ixpk= 893, nxpk= 10, iat= -1, 848, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 165, 827,
&end
#
# 15 THR HN 54 GLU HN 3.50 (# 895:10 Unique 2.78, 2.86 A)
&rst
ixpk= 895, nxpk= 10, iat= 198, 848, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 53 TYR HD 54 GLU HN 5.50 (# 896:10 Unique 3.64, 4.70 A)
&rst
ixpk= 896, nxpk= 10, iat= -1, 848, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 835, 844,
&end
#
# 82 LEU HN 81 ALA HN 2.80 (# 897:10 Unique 2.75, 2.80 A)
&rst
ixpk= 897, nxpk= 10, iat=1245,1235, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:898 81 ALA HN 2.80 (# 898:10 Single Ambig)
&rst
ixpk= 898, nxpk= 10, iat= -1,1235, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 538, 539,1225,
&end
#
# 23 TYR HD 24 ALA HN 5.50 (# 899:10 Unique 4.63, 5.17 A)
&rst
ixpk= 899, nxpk= 10, iat= -1, 354, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 341, 350,
&end
#
# 49 MET HN 48 ALA HN 3.50 (# 901:10 Unique 3.02, 3.07 A)
&rst
ixpk= 901, nxpk= 10, iat= 753, 743, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 46 LEU HN 48 ALA HN 5.50 (# 902:10 Unique 4.27, 4.33 A)
&rst
ixpk= 902, nxpk= 10, iat= 708, 743, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:903 48 ALA HN 5.50 (# 903:10 Single Ambig)
&rst
ixpk= 903, nxpk= 10, iat= -1, 743, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 770, 792,
&end
#
# 47 VAL HN 48 ALA HN 2.80 (# 904:10 Unique 2.51, 2.59 A)
&rst
ixpk= 904, nxpk= 10, iat= 727, 743, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 98 SER HN 95 ILE HN 3.50 (# 907:10 Unique 2.48, 2.85 A)
&rst
ixpk= 907, nxpk= 10, iat=1498,1453, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 LEU HN 21 TRP HN 3.50 (# 909:10 Unique 2.77, 2.79 A)
&rst
ixpk= 909, nxpk= 10, iat= 314, 290, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 20 ALA HN 21 TRP HN 3.50 (# 910:10 Unique 2.79, 2.82 A)
&rst
ixpk= 910, nxpk= 10, iat= 280, 290, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 104 GLU HN 103 ASP HN 2.80 (# 911:10 Unique 1.79, 2.26 A)
&rst
ixpk= 911, nxpk= 10, iat=1588,1576, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 104 GLU HN 105 PHE HN 3.50 (# 912:10 Unique 2.20, 2.76 A)
&rst
ixpk= 912, nxpk= 10, iat=1588,1603, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 76 LEU HN 77 ASP HN 3.50 (# 914:10 Unique 2.66, 2.73 A)
&rst
ixpk= 914, nxpk= 10, iat=1166,1185, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 CYS HN 77 ASP HN 4.50 (# 915:10 Unique 3.62, 3.73 A)
&rst
ixpk= 915, nxpk= 10, iat=1214,1185, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 MET HN 77 ASP HN 2.80 (# 916:10 Unique 2.30, 2.37 A)
&rst
ixpk= 916, nxpk= 10, iat=1197,1185, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 36 ARG HN 37 PHE HN 3.50 (# 917:10 Unique 1.78, 2.29 A)
&rst
ixpk= 917, nxpk= 10, iat= 543, 567, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 37 PHE HD 37 PHE HN 3.50 (# 918:10 Unique 2.85, 4.08 A)
&rst
ixpk= 918, nxpk= 10, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 575, 583,
&end
#
# 0 AMB 10-2:920 0 AMB 10-1:920 3.50 (# 920:10 Double Ambig)
&rst
ixpk= 920, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1699, 587,
igr2=1671, 567,
&end
#
# 86 LEU HN 85 LEU HN 3.50 (# 921:10 Unique 2.84, 2.91 A)
&rst
ixpk= 921, nxpk= 10, iat=1320,1301, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 84 GLU HN 85 LEU HN 3.50 (# 922:10 Unique 2.73, 2.83 A)
&rst
ixpk= 922, nxpk= 10, iat=1286,1301, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 43 ASP HN 44 PHE HN 3.50 (# 923:10 Unique 2.60, 2.66 A)
&rst
ixpk= 923, nxpk= 10, iat= 662, 674, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 ASN HN 44 PHE HN 2.80 (# 924:10 Unique 2.76, 2.81 A)
&rst
ixpk= 924, nxpk= 10, iat= 694, 674, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 44 PHE HD 44 PHE HN 4.50 (# 925:10 Unique 4.57, 4.69 A)
&rst
ixpk= 925, nxpk= 10, iat= -1, 674, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 682, 690,
&end
#
# 52 ASN HN 53 TYR HN 2.80 (# 926:10 Unique 2.81, 2.83 A)
&rst
ixpk= 926, nxpk= 10, iat= 813, 827, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 51 TYR HN 53 TYR HN 4.50 (# 927:10 Unique 3.22, 3.61 A)
&rst
ixpk= 927, nxpk= 10, iat= 792, 827, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 53 TYR HD 53 TYR HN 4.50 (# 928:10 Unique 2.49, 4.17 A)
&rst
ixpk= 928, nxpk= 10, iat= -1, 827, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 835, 844,
&end
#
# 54 GLU HN 53 TYR HN 5.50 (# 929:10 Unique 4.43, 4.47 A)
&rst
ixpk= 929, nxpk= 10, iat= 848, 827, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 106 THR HN 109 ASP HN 4.50 (# 931:10 Unique 3.73, 3.89 A)
&rst
ixpk= 931, nxpk= 10, iat=1623,1671, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 110 VAL HN 109 ASP HN 2.80 (# 932:10 Unique 2.29, 2.40 A)
&rst
ixpk= 932, nxpk= 10, iat=1683,1671, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 108 PHE HN 109 ASP HN 3.50 (# 933:10 Unique 2.87, 2.97 A)
&rst
ixpk= 933, nxpk= 10, iat=1651,1671, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 TRP HN 20 ALA HN 2.80 (# 934:10 Unique 2.79, 2.82 A)
&rst
ixpk= 934, nxpk= 10, iat= 290, 280, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 72 GLY HN 73 ILE HN 2.80 (# 935:10 Unique 2.30, 2.40 A)
&rst
ixpk= 935, nxpk= 10, iat=1114,1121, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 71 THR HN 73 ILE HN 4.50 (# 936:10 Unique 3.58, 3.85 A)
&rst
ixpk= 936, nxpk= 10, iat=1100,1121, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 TYR HE 73 ILE HN 5.50 (# 937:10 Unique 3.21, 5.35 A)
&rst
ixpk= 937, nxpk= 10, iat= -1,1121, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 343, 348,
&end
#
# 48 ALA HN 46 LEU HN 5.50 (# 938:10 Unique 4.27, 4.33 A)
&rst
ixpk= 938, nxpk= 10, iat= 743, 708, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 92 GLY HN 93 ARG HN 3.50 (# 939:10 Unique 1.82, 2.64 A)
&rst
ixpk= 939, nxpk= 10, iat=1408,1415, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 94 THR HN 93 ARG HN 4.50 (# 940:10 Unique 4.17, 4.43 A)
&rst
ixpk= 940, nxpk= 10, iat=1439,1415, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 THR HN 16 LEU HN 5.50 (# 942:10 Unique 2.95, 2.97 A)
&rst
ixpk= 942, nxpk= 10, iat= 198, 212, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 17 ASN HN 16 LEU HN 4.50 (# 943:10 Unique 2.93, 2.95 A)
&rst
ixpk= 943, nxpk= 10, iat= 231, 212, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 19 LEU HN 20 ALA HN 3.50 (# 946:10 Unique 2.72, 2.75 A)
&rst
ixpk= 946, nxpk= 10, iat= 261, 280, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 ASN HN 46 LEU HN 3.50 (# 947:10 Unique 2.82, 2.85 A)
&rst
ixpk= 947, nxpk= 10, iat= 694, 708, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 47 VAL HN 46 LEU HN 3.50 (# 948:10 Unique 2.81, 2.82 A)
&rst
ixpk= 948, nxpk= 10, iat= 727, 708, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 TRP HZ2 93 ARG HN 5.50 (# 949:10 Unique 2.73, 4.54 A)
&rst
ixpk= 949, nxpk= 10, iat= 479,1415, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 59 ASP HN 58 GLN HN 4.50 (# 951:10 Unique 2.68, 2.74 A)
&rst
ixpk= 951, nxpk= 10, iat= 927, 910, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 112 ARG HN 111 VAL HN 2.80 (# 952:10 Unique 2.68, 2.76 A)
&rst
ixpk= 952, nxpk= 10, iat=1715,1699, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:953 46 LEU HN 5.50 (# 953:10 Single Ambig)
&rst
ixpk= 953, nxpk= 10, iat= -1, 708, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 674, 648,
&end
#
# 0 AMB 10-2:954 22 LEU HN 2.80 (# 954:10 Single Ambig)
&rst
ixpk= 954, nxpk= 10, iat= -1, 314, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 333, 290,
&end
#
# 83 LYS HN 82 LEU HN 3.50 (# 957:10 Unique 2.72, 2.77 A)
&rst
ixpk= 957, nxpk= 10, iat=1264,1245, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:958 0 AMB 10-1:958 4.50 (# 958:10 Double Ambig)
&rst
ixpk= 958, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1286, 684, 688,
igr2=1320,1245,
&end
#
# 0 AMB 10-2:959 0 AMB 10-1:959 2.80 (# 959:10 Double Ambig)
&rst
ixpk= 959, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 984,1739,
igr2= 972,1699,
&end
#
# 31 ARG HN 32 TRP HN 4.50 (# 960:10 Unique 2.28, 3.37 A)
&rst
ixpk= 960, nxpk= 10, iat= 442, 466, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 81 ALA HN 82 LEU HN 2.80 (# 964:10 Unique 2.75, 2.80 A)
&rst
ixpk= 964, nxpk= 10, iat=1235,1245, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 61 VAL HN 62 ASP HN 3.50 (# 965:10 Unique 2.84, 2.86 A)
&rst
ixpk= 965, nxpk= 10, iat= 956, 972, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 HIS HN 62 ASP HN 5.50 (# 966:10 Unique 4.22, 4.26 A)
&rst
ixpk= 966, nxpk= 10, iat= 939, 972, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 TRP HD1 32 TRP HN 4.50 (# 968:10 Unique 2.52, 3.08 A)
&rst
ixpk= 968, nxpk= 10, iat= 474, 466, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:970 0 AMB 10-1:970 3.50 (# 970:10 Double Ambig)
&rst
ixpk= 970, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1301,1225,1365,1366,
igr2=1320,1245,
&end
#
# 87 GLN HN 86 LEU HN 3.50 (# 971:10 Unique 2.25, 2.54 A)
&rst
ixpk= 971, nxpk= 10, iat=1339,1320, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:973 26 VAL HN 2.80 (# 973:10 Single Ambig)
&rst
ixpk= 973, nxpk= 10, iat= -1, 374, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 364, 390,
&end
#
# 48 ALA HN 47 VAL HN 3.50 (# 974:10 Unique 2.51, 2.59 A)
&rst
ixpk= 974, nxpk= 10, iat= 743, 727, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 46 LEU HN 47 VAL HN 3.50 (# 975:10 Unique 2.81, 2.82 A)
&rst
ixpk= 975, nxpk= 10, iat= 708, 727, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 ASN HN 26 VAL HN 5.50 (# 976:10 Unique 4.17, 4.28 A)
&rst
ixpk= 976, nxpk= 10, iat= 409, 374, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 VAL HN 112 ARG HN 3.50 (# 978:10 Unique 2.68, 2.76 A)
&rst
ixpk= 978, nxpk= 10, iat=1699,1715, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 113 GLN HN 112 ARG HN 2.80 (# 979:10 Unique 2.68, 2.81 A)
&rst
ixpk= 979, nxpk= 10, iat=1739,1715, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 111 VAL HN 110 VAL HN 3.50 (# 983:10 Unique 2.59, 2.65 A)
&rst
ixpk= 983, nxpk= 10, iat=1699,1683, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 109 ASP HN 110 VAL HN 2.80 (# 984:10 Unique 2.29, 2.40 A)
&rst
ixpk= 984, nxpk= 10, iat=1671,1683, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 116 GLY HN 117 VAL HN 4.50 (# 987:10 Unique 2.10, 2.92 A)
&rst
ixpk= 987, nxpk= 10, iat=1778,1785, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 57 THR HN 60 HIS HN 5.50 (# 988:10 Unique 3.05, 3.08 A)
&rst
ixpk= 988, nxpk= 10, iat= 896, 939, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 VAL HN 60 HIS HN 3.50 (# 989:10 Unique 2.66, 2.70 A)
&rst
ixpk= 989, nxpk= 10, iat= 956, 939, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 ASP HN 60 HIS HN 3.50 (# 990:10 Unique 2.62, 2.65 A)
&rst
ixpk= 990, nxpk= 10, iat= 927, 939, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 HIS HD2 60 HIS HN 5.50 (# 991:10 Unique 4.55, 4.61 A)
&rst
ixpk= 991, nxpk= 10, iat= 952, 939, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:992 83 LYS HN 3.50 (# 992:10 Single Ambig)
&rst
ixpk= 992, nxpk= 10, iat= -1,1264, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 684, 688,1286,
&end
#
# 82 LEU HN 83 LYS HN 3.50 (# 993:10 Unique 2.72, 2.77 A)
&rst
ixpk= 993, nxpk= 10, iat=1245,1264, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 46 LEU HN 45 ASN HN 3.50 (# 995:10 Unique 2.82, 2.85 A)
&rst
ixpk= 995, nxpk= 10, iat= 708, 694, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 44 PHE HN 45 ASN HN 3.50 (# 996:10 Unique 2.76, 2.81 A)
&rst
ixpk= 996, nxpk= 10, iat= 674, 694, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 44 PHE HD 45 ASN HN 3.50 (# 997:10 Unique 3.28, 4.31 A)
&rst
ixpk= 997, nxpk= 10, iat= -1, 694, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 682, 690,
&end
#
# 0 AMB 10-2:1000 43 ASP HN 2.80 (# 1000:10 Single Ambig)
&rst
ixpk= 1000, nxpk= 10, iat= -1, 662, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 648, 674,
&end
#
# 62 ASP HN 61 VAL HN 3.50 (# 1002:10 Unique 2.84, 2.86 A)
&rst
ixpk= 1002, nxpk= 10, iat= 972, 956, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 ASP HN 61 VAL HN 5.50 (# 1003:10 Unique 3.99, 4.02 A)
&rst
ixpk= 1003, nxpk= 10, iat= 927, 956, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 HIS HN 61 VAL HN 3.50 (# 1004:10 Unique 2.66, 2.70 A)
&rst
ixpk= 1004, nxpk= 10, iat= 939, 956, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 105 PHE HN 104 GLU HN 4.50 (# 1006:10 Unique 2.20, 2.76 A)
&rst
ixpk= 1006, nxpk= 10, iat=1603,1588, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 103 ASP HN 104 GLU HN 2.80 (# 1007:10 Unique 1.79, 2.26 A)
&rst
ixpk= 1007, nxpk= 10, iat=1576,1588, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 90 MET HN 91 ASN HN 3.50 (# 1008:10 Unique 2.49, 2.95 A)
&rst
ixpk= 1008, nxpk= 10, iat=1377,1394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 SER HN 67 LEU HN 2.80 (# 1009:10 Unique 2.48, 2.56 A)
&rst
ixpk= 1009, nxpk= 10, iat=1062,1043, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 80 ALA HN 79 CYS HN 3.50 (# 1011:10 Unique 2.76, 2.79 A)
&rst
ixpk= 1011, nxpk= 10, iat=1225,1214, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 77 ASP HN 79 CYS HN 5.50 (# 1012:10 Unique 3.62, 3.73 A)
&rst
ixpk= 1012, nxpk= 10, iat=1185,1214, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 78 MET HN 79 CYS HN 3.50 (# 1013:10 Unique 2.63, 2.67 A)
&rst
ixpk= 1013, nxpk= 10, iat=1197,1214, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 LEU HN 23 TYR HN 3.50 (# 1014:10 Unique 2.75, 2.80 A)
&rst
ixpk= 1014, nxpk= 10, iat= 314, 333, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 23 TYR HD 23 TYR HN 3.50 (# 1015:10 Unique 2.79, 3.78 A)
&rst
ixpk= 1015, nxpk= 10, iat= -1, 333, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 341, 350,
&end
#
# 112 ARG HN 113 GLN HN 3.50 (# 1016:10 Unique 2.68, 2.81 A)
&rst
ixpk= 1016, nxpk= 10, iat=1715,1739, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 LEU HN 17 ASN HN 5.50 (# 1017:10 Unique 2.93, 2.95 A)
&rst
ixpk= 1017, nxpk= 10, iat= 212, 231, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 18 VAL HN 17 ASN HN 4.50 (# 1018:10 Unique 2.45, 2.49 A)
&rst
ixpk= 1018, nxpk= 10, iat= 245, 231, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 ALA HN 19 LEU HN 3.50 (# 1019:10 Unique 2.72, 2.75 A)
&rst
ixpk= 1019, nxpk= 10, iat= 280, 261, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 18 VAL HN 19 LEU HN 3.50 (# 1020:10 Unique 2.56, 2.64 A)
&rst
ixpk= 1020, nxpk= 10, iat= 245, 261, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 67 LEU HN 68 SER HN 3.50 (# 1021:10 Unique 2.48, 2.56 A)
&rst
ixpk= 1021, nxpk= 10, iat=1043,1062, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1022 0 AMB 10-1:1022 2.80 (# 1022:10 Double Ambig)
&rst
ixpk= 1022, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1509,1073,
igr2=1523,1062,
&end
#
# 63 ILE HN 64 LEU HN 3.50 (# 1024:10 Unique 2.74, 2.78 A)
&rst
ixpk= 1024, nxpk= 10, iat= 984,1003, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 GLY HN 64 LEU HN 3.50 (# 1025:10 Unique 2.58, 2.66 A)
&rst
ixpk= 1025, nxpk= 10, iat=1022,1003, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 77 ASP HN 76 LEU HN 3.50 (# 1026:10 Unique 2.66, 2.73 A)
&rst
ixpk= 1026, nxpk= 10, iat=1185,1166, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 58 GLN HN 59 ASP HN 4.50 (# 1027:10 Unique 2.68, 2.74 A)
&rst
ixpk= 1027, nxpk= 10, iat= 910, 927, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 HIS HN 59 ASP HN 3.50 (# 1028:10 Unique 2.62, 2.65 A)
&rst
ixpk= 1028, nxpk= 10, iat= 939, 927, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 97 GLY HN 98 SER HN 3.50 (# 1036:10 Unique 2.67, 2.83 A)
&rst
ixpk= 1036, nxpk= 10, iat=1491,1498, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 95 ILE HN 98 SER HN 3.50 (# 1037:10 Unique 2.48, 2.85 A)
&rst
ixpk= 1037, nxpk= 10, iat=1453,1498, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 72 GLY HN 70 GLN HN 4.50 (# 1045:10 Unique 4.04, 4.11 A)
&rst
ixpk= 1045, nxpk= 10, iat=1114,1083, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 83 LYS HN 84 GLU HN 3.50 (# 1052:10 Unique 2.85, 2.91 A)
&rst
ixpk= 1052, nxpk= 10, iat=1264,1286, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1053 84 GLU HN 3.50 (# 1053:10 Single Ambig)
&rst
ixpk= 1053, nxpk= 10, iat= -1,1286, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1301, 538, 539,
&end
#
# 0 AMB 10-2:1054 0 AMB 10-1:1054 3.50 (# 1054:10 Double Ambig)
&rst
ixpk= 1054, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 418, 419,1100,
igr2= 409,1083,
&end
#
# 0 AMB 10-2:1055 0 AMB 10-1:1055 2.80 (# 1055:10 Double Ambig)
&rst
ixpk= 1055, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1073, 390,
igr2=1083, 409,
&end
#
# 26 VAL HN 28 ASN HN 5.50 (# 1056:10 Unique 4.17, 4.28 A)
&rst
ixpk= 1056, nxpk= 10, iat= 374, 409, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 GLY HN 28 ASN HN 2.80 (# 1057:10 Unique 2.66, 2.68 A)
&rst
ixpk= 1057, nxpk= 10, iat= 423, 409, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 114 CYS HN 115 SER HN 3.50 (# 1069:10 Unique 2.11, 2.76 A)
&rst
ixpk= 1069, nxpk= 10, iat=1756,1767, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 53 TYR HD 52 ASN HN 5.50 (# 1073:10 Unique 3.50, 5.56 A)
&rst
ixpk= 1073, nxpk= 10, iat= -1, 813, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 835, 844,
&end
#
# 53 TYR HN 52 ASN HN 3.50 (# 1076:10 Unique 2.81, 2.83 A)
&rst
ixpk= 1076, nxpk= 10, iat= 827, 813, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 51 TYR HN 52 ASN HN 2.80 (# 1077:10 Unique 2.24, 2.45 A)
&rst
ixpk= 1077, nxpk= 10, iat= 792, 813, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 53 TYR HN 51 TYR HN 5.50 (# 1078:10 Unique 3.22, 3.61 A)
&rst
ixpk= 1078, nxpk= 10, iat= 827, 792, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 ASN HN 51 TYR HN 2.80 (# 1080:10 Unique 2.24, 2.45 A)
&rst
ixpk= 1080, nxpk= 10, iat= 813, 792, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 51 TYR HD 51 TYR HN 3.50 (# 1081:10 Unique 2.32, 3.73 A)
&rst
ixpk= 1081, nxpk= 10, iat= -1, 792, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 800, 809,
&end
#
# 115 SER HN 114 CYS HN 3.50 (# 1083:10 Unique 2.11, 2.76 A)
&rst
ixpk= 1083, nxpk= 10, iat=1767,1756, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 TRP HN 31 ARG HN 4.50 (# 1091:10 Unique 2.28, 3.37 A)
&rst
ixpk= 1091, nxpk= 10, iat= 466, 442, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 91 ASN HN 90 MET HN 4.50 (# 1093:10 Unique 2.49, 2.95 A)
&rst
ixpk= 1093, nxpk= 10, iat=1394,1377, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 ASP HN 42 ASN HN 3.50 (# 1094:10 Unique 2.60, 2.68 A)
&rst
ixpk= 1094, nxpk= 10, iat= 662, 648, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 41 LEU HN 42 ASN HN 3.50 (# 1095:10 Unique 2.79, 2.87 A)
&rst
ixpk= 1095, nxpk= 10, iat= 629, 648, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 11 ASP HN 12 THR HN 3.50 (# 1096:10 Unique 1.78, 2.43 A)
&rst
ixpk= 1096, nxpk= 10, iat= 139, 151, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1098 90 MET HN 5.50 (# 1098:10 Single Ambig)
&rst
ixpk= 1098, nxpk= 10, iat= -1,1377, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1370,1365,1366,
&end
#
# 88 ASN HN 88 ASN HD2+ 5.50 (# 1101:10 Unique 2.34, 3.34 A)
&rst
ixpk= 1101, nxpk= 10, iat=1356, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1365,1366,
&end
#
# 84 GLU HN 88 ASN HD2+ 5.50 (# 1102:10 Unique 5.08, 5.73 A)
&rst
ixpk= 1102, nxpk= 10, iat=1286, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1365,1366,
&end
#
# 100 ILE HN 99 THR HN 2.80 (# 1110:10 Unique 2.47, 2.62 A)
&rst
ixpk= 1110, nxpk= 10, iat=1523,1509, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 109 ASP HN 108 PHE HN 3.50 (# 1111:10 Unique 2.87, 2.97 A)
&rst
ixpk= 1111, nxpk= 10, iat=1671,1651, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 ALA HN 49 MET HN 3.50 (# 1127:10 Unique 3.02, 3.07 A)
&rst
ixpk= 1127, nxpk= 10, iat= 743, 753, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 50 LYS HN 49 MET HN 3.50 (# 1128:10 Unique 2.83, 2.88 A)
&rst
ixpk= 1128, nxpk= 10, iat= 770, 753, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1129 88 ASN HN 2.80 (# 1129:10 Single Ambig)
&rst
ixpk= 1129, nxpk= 10, iat= -1,1356, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1370,1365,1366,
&end
#
# 87 GLN HN 88 ASN HN 3.50 (# 1130:10 Unique 2.66, 2.74 A)
&rst
ixpk= 1130, nxpk= 10, iat=1339,1356, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 ASN HN 28 ASN HD2+ 4.50 (# 1134:10 Unique 2.49, 3.33 A)
&rst
ixpk= 1134, nxpk= 10, iat= 409, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 418, 419,
&end
#
# 28 ASN HN 28 ASN HD2- 5.50 (# 1139:10 Unique 2.49, 3.33 A)
&rst
ixpk= 1139, nxpk= 10, iat= 409, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 418, 419,
&end
#
# 88 ASN HN 87 GLN HN 2.80 (# 1149:10 Unique 2.66, 2.74 A)
&rst
ixpk= 1149, nxpk= 10, iat=1356,1339, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:1150 87 GLN HN 4.50 (# 1150:10 Single Ambig)
&rst
ixpk= 1150, nxpk= 10, iat= -1,1339, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1365,1366,1370,1301,
&end
#
# 11 ASP HN 10 THR HN 5.50 (# 1153:10 Unique 1.87, 4.03 A)
&rst
ixpk= 1153, nxpk= 10, iat= 139, 125, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 37 PHE HN 38 THR HN 4.50 (# 1171:10 Unique 4.13, 4.37 A)
&rst
ixpk= 1171, nxpk= 10, iat= 567, 587, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 37 PHE HD 38 THR HN 5.50 (# 1172:10 Unique 3.83, 5.01 A)
&rst
ixpk= 1172, nxpk= 10, iat= -1, 587, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 575, 583,
&end
#
# 70 GLN HN 72 GLY HN 4.50 (# 1174:10 Unique 4.04, 4.11 A)
&rst
ixpk= 1174, nxpk= 10, iat=1083,1114, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 73 ILE HN 72 GLY HN 2.80 (# 1175:10 Unique 2.30, 2.40 A)
&rst
ixpk= 1175, nxpk= 10, iat=1121,1114, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 71 THR HN 72 GLY HN 2.80 (# 1176:10 Unique 2.15, 2.42 A)
&rst
ixpk= 1176, nxpk= 10, iat=1100,1114, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 43 ASP HN 40 THR HN 5.50 (# 1179:10 Unique 4.10, 4.38 A)
&rst
ixpk= 1179, nxpk= 10, iat= 662, 615, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 109 ASP HN 106 THR HN 5.50 (# 1182:10 Unique 3.73, 3.89 A)
&rst
ixpk= 1182, nxpk= 10, iat=1671,1623, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 117 VAL HN 116 GLY HN 4.50 (# 1183:10 Unique 2.10, 2.92 A)
&rst
ixpk= 1183, nxpk= 10, iat=1785,1778, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 105 PHE HD 113 GLN HE2- 4.50 (# 1189:10 Unique 2.27, 5.42 A)
&rst
ixpk= 1189, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1611,1619,
igr2=1751,1752,
&end
#
# 90 MET HN 89 GLY HN 4.50 (# 1197:10 Unique 2.74, 4.13 A)
&rst
ixpk= 1197, nxpk= 10, iat=1377,1370, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 88 ASN HN 89 GLY HN 2.80 (# 1198:10 Unique 1.86, 2.08 A)
&rst
ixpk= 1198, nxpk= 10, iat=1356,1370, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 87 GLN HN 89 GLY HN 4.50 (# 1199:10 Unique 3.87, 4.10 A)
&rst
ixpk= 1199, nxpk= 10, iat=1339,1370, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 56 LEU HN 45 ASN HD2- 4.50 (# 1200:10 Unique 2.50, 3.24 A)
&rst
ixpk= 1200, nxpk= 10, iat= 877, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 703, 704,
&end
#
# 45 ASN HN 45 ASN HD2- 5.50 (# 1201:10 Unique 4.17, 4.42 A)
&rst
ixpk= 1201, nxpk= 10, iat= 694, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 703, 704,
&end
#
# 42 ASN HD2+ 45 ASN HD2- 2.80 (# 1203:10 Unique 2.95, 4.44 A)
&rst
ixpk= 1203, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 657, 658,
igr2= 703, 704,
&end
#
# 56 LEU HN 45 ASN HD2+ 3.50 (# 1205:10 Unique 2.50, 3.24 A)
&rst
ixpk= 1205, nxpk= 10, iat= 877, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 703, 704,
&end
#
# 63 ILE HN 65 GLY HN 4.50 (# 1208:10 Unique 3.84, 3.95 A)
&rst
ixpk= 1208, nxpk= 10, iat= 984,1022, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 64 LEU HN 65 GLY HN 2.80 (# 1209:10 Unique 2.58, 2.66 A)
&rst
ixpk= 1209, nxpk= 10, iat=1003,1022, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 75 VAL HN 74 ALA HN 5.50 (# 1213:10 Unique 4.63, 4.66 A)
&rst
ixpk= 1213, nxpk= 10, iat=1150,1140, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 30 ASP HN 29 GLY HN 2.80 (# 1214:10 Unique 1.89, 1.95 A)
&rst
ixpk= 1214, nxpk= 10, iat= 430, 423, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 28 ASN HN 29 GLY HN 2.80 (# 1215:10 Unique 2.66, 2.68 A)
&rst
ixpk= 1215, nxpk= 10, iat= 409, 423, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 32 TRP HE1 94 THR HN 5.50 (# 1216:10 Unique 3.68, 4.40 A)
&rst
ixpk= 1216, nxpk= 10, iat= 476,1439, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 93 ARG HN 94 THR HN 4.50 (# 1217:10 Unique 4.17, 4.43 A)
&rst
ixpk= 1217, nxpk= 10, iat=1415,1439, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 91 ASN HN 92 GLY HN 4.50 (# 1221:10 Unique 2.61, 3.23 A)
&rst
ixpk= 1221, nxpk= 10, iat=1394,1408, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 ARG HN 92 GLY HN 3.50 (# 1222:10 Unique 1.82, 2.64 A)
&rst
ixpk= 1222, nxpk= 10, iat=1415,1408, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 LEU HN 97 GLY HN 3.50 (# 1223:10 Unique 2.58, 2.82 A)
&rst
ixpk= 1223, nxpk= 10, iat=1472,1491, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 98 SER HN 97 GLY HN 3.50 (# 1224:10 Unique 2.67, 2.83 A)
&rst
ixpk= 1224, nxpk= 10, iat=1498,1491, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 72 GLY HN 71 THR HN 2.80 (# 1225:10 Unique 2.15, 2.42 A)
&rst
ixpk= 1225, nxpk= 10, iat=1114,1100, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 70 GLN HN 71 THR HN 3.50 (# 1226:10 Unique 2.71, 2.77 A)
&rst
ixpk= 1226, nxpk= 10, iat=1083,1100, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 62 ASP HN 63 ILE HN 3.50 (# 1227:10 Unique 2.89, 2.90 A)
&rst
ixpk= 1227, nxpk= 10, iat= 972, 984, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 73 ILE HN 71 THR HN 4.50 (# 1229:10 Unique 3.58, 3.85 A)
&rst
ixpk= 1229, nxpk= 10, iat=1121,1100, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:1230 0 AMB 10-1:1230 4.50 (# 1230:10 Double Ambig)
&rst
ixpk= 1230, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1052,1053,1054,1056,1057,1058, 270, 271, 272, 274,
275, 276,
igr2=1699, 280,
&end
#
# 0 AMB 10-2:1232 21 TRP HE1 4.50 (# 1232:10 Single Ambig)
&rst
ixpk= 1232, nxpk= 10, iat= -1, 300, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1568,1569,1568,1569,
&end
#
# 90 MET HG+ 90 MET HN 5.50 (# 1233:10 Unique 1.80, 3.53 A)
&rst
ixpk= 1233, nxpk= 10, iat= -1,1377, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1384,1385,
&end
#
# 0 AMB 10-2:1234 15 THR HN 5.50 (# 1234:10 Single Ambig)
&rst
ixpk= 1234, nxpk= 10, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 850, 873,
&end
#
# 102 GLU HB- 21 TRP HE1 5.50 (# 1235:10 Unique 2.80, 3.91 A)
&rst
ixpk= 1235, nxpk= 10, iat= -1, 300, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1565,1566,
&end
#
# 0 AMB 10-2:1236 21 TRP HE1 5.50 (# 1236:10 Single Ambig)
&rst
ixpk= 1236, nxpk= 10, iat= -1, 300, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1=1479, 368, 369, 370, 358, 359, 360,
&end
#
# 0 AMB 10-2:1237 32 TRP HE1 5.50 (# 1237:10 Single Ambig)
&rst
ixpk= 1237, nxpk= 10, iat= -1, 476, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1384,1385,1388,1389,1390,
&end
#
# 0 AMB 10-2:1238 32 TRP HE1 5.50 (# 1238:10 Single Ambig)
&rst
ixpk= 1238, nxpk= 10, iat= -1, 476, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1422,1423,1422,1423,
&end
#
# 33 PHE HD 32 TRP HE1 5.50 (# 1239:10 Unique 3.08, 5.28 A)
&rst
ixpk= 1239, nxpk= 10, iat= -1, 476, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 498, 506,
&end
#
# 30 ASP HB+ 96 LEU HN 5.50 (# 1241:10 Unique 3.08, 3.72 A)
&rst
ixpk= 1241, nxpk= 10, iat= -1,1472, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 434, 435,
&end
#
# 30 ASP HB- 96 LEU HN 5.50 (# 1242:10 Unique 3.08, 3.72 A)
&rst
ixpk= 1242, nxpk= 10, iat= -1,1472, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 434, 435,
&end
#
# 28 ASN HA 30 ASP HN 5.50 (# 1244:10 Unique 5.07, 5.33 A)
&rst
ixpk= 1244, nxpk= 10, iat= 411, 430, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 76 LEU HA 78 MET HN 5.50 (# 1245:10 Unique 4.42, 4.55 A)
&rst
ixpk= 1245, nxpk= 10, iat=1168,1197, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1246 41 LEU HN 5.50 (# 1246:10 Single Ambig)
&rst
ixpk= 1246, nxpk= 10, iat= -1, 629, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 666, 667, 652, 653,
&end
#
# 0 AMB 10-2:1247 69 ALA HN 5.50 (# 1247:10 Single Ambig)
&rst
ixpk= 1247, nxpk= 10, iat= -1,1073, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1087,1088,1033,1034,
&end
#
# 0 AMB 10-2:1248 69 ALA HN 5.50 (# 1248:10 Single Ambig)
&rst
ixpk= 1248, nxpk= 10, iat= -1,1073, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1087,1088,1090,1091,
&end
#
# 0 AMB 10-2:1249 25 ALA HN 5.50 (# 1249:10 Single Ambig)
&rst
ixpk= 1249, nxpk= 10, iat= -1, 364, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 380, 381, 382, 384, 385, 386, 400, 401,
&end
#
# 0 AMB 10-2:1250 7 ALA HN 3.50 (# 1250:10 Single Ambig)
&rst
ixpk= 1250, nxpk= 10, iat= -1, 98, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 83, 59,
&end
#
# 34 LEU HG 34 LEU HN 4.50 (# 1252:10 Unique 2.30, 3.68 A)
&rst
ixpk= 1252, nxpk= 10, iat= 517, 510, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 THR HA 39 THR HN 5.50 (# 1253:10 Unique 5.35, 5.52 A)
&rst
ixpk= 1253, nxpk= 10, iat= 617, 601, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 ASP HN 75 VAL HN 5.50 (# 1254:10 Unique 4.11, 4.22 A)
&rst
ixpk= 1254, nxpk= 10, iat=1185,1150, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 74 ALA HN 75 VAL HN 5.50 (# 1255:10 Unique 4.63, 4.66 A)
&rst
ixpk= 1255, nxpk= 10, iat=1140,1150, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 78 MET HA 80 ALA HN 5.50 (# 1256:10 Unique 4.31, 4.42 A)
&rst
ixpk= 1256, nxpk= 10, iat=1199,1225, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 81 ALA HN 80 ALA HN 3.50 (# 1257:10 Unique 2.71, 2.77 A)
&rst
ixpk= 1257, nxpk= 10, iat=1235,1225, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 ASN HA 37 PHE HN 4.50 (# 1258:10 Unique 4.32, 4.48 A)
&rst
ixpk= 1258, nxpk= 10, iat= 531, 567, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 35 ASN HA 36 ARG HN 3.50 (# 1260:10 Unique 2.16, 2.69 A)
&rst
ixpk= 1260, nxpk= 10, iat= 531, 543, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 LEU HN 35 ASN HN 5.50 (# 1261:10 Unique 4.52, 4.66 A)
&rst
ixpk= 1261, nxpk= 10, iat= 510, 529, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 28 ASN HN 27 ILE HN 3.50 (# 1263:10 Unique 2.72, 2.77 A)
&rst
ixpk= 1263, nxpk= 10, iat= 409, 390, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 105 PHE HB- 106 THR HN 3.50 (# 1264:10 Unique 3.68, 4.04 A)
&rst
ixpk= 1264, nxpk= 10, iat= -1,1623, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1607,1608,
&end
#
# 113 GLN HG- 113 GLN HE2- 5.50 (# 1265:10 Unique 2.25, 3.28 A)
&rst
ixpk= 1265, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1746,1747,
igr2=1751,1752,
&end
#
# 113 GLN HG+ 113 GLN HE2- 5.50 (# 1266:10 Unique 2.25, 3.28 A)
&rst
ixpk= 1266, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1746,1747,
igr2=1751,1752,
&end
#
# 113 GLN HG+ 113 GLN HE2+ 4.50 (# 1267:10 Unique 2.25, 3.28 A)
&rst
ixpk= 1267, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1746,1747,
igr2=1751,1752,
&end
#
# 60 HIS HE1 57 THR HN 5.50 (# 1268:10 Unique 3.97, 4.12 A)
&rst
ixpk= 1268, nxpk= 10, iat= 949, 896, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1269 91 ASN HN 5.50 (# 1269:10 Single Ambig)
&rst
ixpk= 1269, nxpk= 10, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1403,1404,1415,
&end
#
# 33 PHE HE 32 TRP HE1 5.50 (# 1270:10 Unique 4.04, 6.25 A)
&rst
ixpk= 1270, nxpk= 10, iat= -1, 476, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 500, 504,
&end
#
# 0 AMB 10-2:1271 71 THR HN 5.50 (# 1271:10 Single Ambig)
&rst
ixpk= 1271, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 403, 404, 405,1052,1053,1054,1056,1057,1058,
&end
#
# 70 GLN HG- 71 THR HN 5.50 (# 1272:10 Unique 4.63, 4.92 A)
&rst
ixpk= 1272, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1090,1091,
&end
#
# 95 ILE HN 94 THR HN 5.50 (# 1274:10 Unique 4.38, 4.55 A)
&rst
ixpk= 1274, nxpk= 10, iat=1453,1439, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 TRP HZ2 94 THR HN 5.50 (# 1275:10 Unique 3.94, 4.76 A)
&rst
ixpk= 1275, nxpk= 10, iat= 479,1439, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 MET HG+ 93 ARG HN 4.50 (# 1276:10 Unique 2.84, 4.76 A)
&rst
ixpk= 1276, nxpk= 10, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1384,1385,
&end
#
# 91 ASN HB- 93 ARG HN 5.50 (# 1277:10 Unique 3.64, 5.04 A)
&rst
ixpk= 1277, nxpk= 10, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1398,1399,
&end
#
# 119 PHE HB- 119 PHE HN 4.50 (# 120:10 Unique 2.34, 3.27 A)
&rst
ixpk= 120, nxpk= 10, iat= -1,1815, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1819,1820,
&end
#
# 8 ALA HA 8 ALA HN 2.80 (# 131:10 Unique)
&rst
ixpk= 131, nxpk= 10, iat= 110, 108, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 10 THR HA 11 ASP HN 3.50 (# 141:10 Unique)
&rst
ixpk= 141, nxpk= 10, iat= 127, 139, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 THR HA 13 THR HN 3.50 (# 141:10 Unique)
&rst
ixpk= 141, nxpk= 10, iat= 153, 165, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 2 ARG HA 3 GLN HN 4.50 (# 193:10 Unique 2.17, 2.71 A)
&rst
ixpk= 193, nxpk= 10, iat= 18, 40, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 6 GLN HA 6 GLN HN 3.50 (# 368:10 Unique)
&rst
ixpk= 368, nxpk= 10, iat= 83, 81, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 108 PHE HA 112 ARG HN 5.50 (# 370:10 Unique)
&rst
ixpk= 370, nxpk= 10, iat=1653,1715, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 112 ARG HG- 112 ARG HN 3.50 (# 373:10 Unique 2.41, 4.09 A)
&rst
ixpk= 373, nxpk= 10, iat= -1,1715, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1722,1723,
&end
#
# 117 VAL MGY 117 VAL HN 2.80 (# 383:10 Unique 2.00, 3.85 A)
&rst
ixpk= 383, nxpk= 10, iat= -1,1785, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1791,1792,1793,1795,1796,1797,
&end
#
# 117 VAL HA 118 THR HN 2.80 (# 421:10 Unique 2.18, 2.56 A)
&rst
ixpk= 421, nxpk= 10, iat=1787,1801, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 7 ALA MB 7 ALA HN 4.50 (# 1251:10 Unique)
&rst
ixpk= 1251, nxpk= 10, iat= -1, 98, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 102, 103, 104,
&end
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